| CAS Number | 940532-51-4 |
| Catalog Number | AG01DONL(AGN-PC-0WBXGP) |
| Chemical Name | 5-((4-(Diethylcarbamoyl)phenyl)amino)-5-oxopentanoic acid |
| IUPAC Name | 5-[4-(diethylcarbamoyl)anilino]-5-oxopentanoic acid |
| InChI | InChI=1S/C16H22N2O4/c1-3-18(4-2)16(22)12-8-10-13(11-9-12)17-14(19)6-5-7-15(20)21/h8-11H,3-7H2,1-2H3,(H,17,19)(H,20,21) |
| InChI Key | OPUSKYPIMYDDGX-UHFFFAOYSA-N |
| MDL Number | MFCD09436857 |
| Molecular Formula | C16H22N2O4 |
| Molecular Weight | 306.3569 |
| SMILES | CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)O |
| Synonyms | 5-{4-[(diethylamino)carbonyl]anilino}-5-oxopentanoic acid,
940532-51-4,
5-({4-[(diethylamino)carbonyl]phenyl}amino)-5-oxopentanoic acid,
5-((4-(Diethylcarbamoyl)phenyl)amino)-5-oxopentanoic acid,
5-{[4-(diethylcarbamoyl)phenyl]amino}-5-oxopentanoic acid,
ARONIS015833,
CTK6E6744,
3831AF,
SBB080288,
STL067965,
ZINC12403794,
AKOS000319806,
MCULE-9070929293,
KS-000045Y0,
TR-049656,
AN-329/43449092,
4-{[4-(diethylcarbamoyl)phenyl]carbamoyl}butanoic acid,
4-{N-[4-(N,N-diethylcarbamoyl)phenyl]carbamoyl}butanoic acid,
OPUSKYPIMYDDGX-UHFFFAOYSA-N,
C16H22N2O4,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.362g/mol |
| Monoisotopic Mass | 306.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number