| CAS Number | 83697-66-9 |
| Catalog Number | AG01C4OJ |
| Chemical Name | 4-phenyl-N-(2-phenylethyl)butanamide |
| IUPAC Name | 4-phenyl-N-(2-phenylethyl)butanamide |
| InChI | InChI=1S/C18H21NO/c20-18(13-7-12-16-8-3-1-4-9-16)19-15-14-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,19,20) |
| InChI Key | VSBHSHACXLQYJY-UHFFFAOYSA-N |
| MDL Number | MFCD03138863 |
| Molecular Formula | C18H21NO |
| Molecular Weight | 267.3654 |
| SMILES | O=C(NCCC1=CC=CC=C1)CCCC1=CC=CC=C1 |
| Synonyms | 4-phenyl-N-(2-phenylethyl)butanamide,
N-phenethyl-4-phenylbutanamide,
83697-66-9,
AC1LHDT0,
N-Phenethylbenzenebutanamide,
MLS001178328,
CHEMBL54837,
SCHEMBL13073412,
HMS2820H18,
ZINC363282,
AKOS003298055,
MCULE-8313116465,
SMR000477302,
AB00113210-01,
AN-652/41041810,
CID836348,
ZINC00363282,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.372g/mol |
| Monoisotopic Mass | 267.162g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number