N-phenyl-N-[2-(N-phenylacetamido)ethyl]acetamide

• ChemBase ID: 110109
• Molecular Formular: C18H20N2O2
• Molecular Mass: 296.3636
• Monoisotopic Mass: 296.15247789
• SMILES: CC(=O)N(CCN(C(=O)C)c1ccccc1)c1ccccc1
• Canonical SMILES: CC(=O)N(c1ccccc1)CCN(c1ccccc1)C(=O)C
• InChI: InChI=1S/C18H20N2O2/c1-15(21)19(17-9-5-3-6-10-17)13-14-20(16(2)22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
• InChIKey: FHTWCXSHJMLRNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-[2-(N-phenylacetamido)ethyl]acetamide
• IUPAC Traditional name: N-phenyl-N-[2-(N-phenylacetamido)ethyl]acetamide
• Synonyms: N,N'-DIACETYL-N,N'-DIPHENYLETHYLENEDIAMINE

Database IDs

• PubChem SID: 162106358
• PubChem CID: 1733533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9785196
• LogD (pH = 7.4): 1.9785196
• Log P: 1.9785196
• Molar Refractivity: 86.1048 cm^3
• Polarizability: 33.366364 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213778

MP Biomedicals Rare Chemical collection