N-phenyl-N-[(2R)-1-(piperidin-1-yl)propan-2-yl]propanamide

• ChemBase ID: 130361
• Molecular Formular: C17H26N2O
• Molecular Mass: 274.40114
• Monoisotopic Mass: 274.20451346
• SMILES: CCC(=O)N([C@H](C)CN1CCCCC1)c1ccccc1
• Canonical SMILES: CCC(=O)N(c1ccccc1)[C@@H](CN1CCCCC1)C
• InChI: InChI=1S/C17H26N2O/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3/t15-/m1/s1
• InChIKey: DHTRHEVNFFZCNU-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-[(2R)-1-(piperidin-1-yl)propan-2-yl]propanamide
• IUPAC Traditional name: phenampromide
• Synonyms: Phenampromide

Database IDs

• CAS Number: 129-83-9
• PubChem SID: 162224640
• PubChem CID: 20054994; 8523
• Chemspider ID: 16735960
• Unique Ingredient Identifier: 0600L2M6EZ
• Wikipedia Title: Phenampromide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.17534809
• LogD (pH = 7.4): 1.9243628
• Log P: 3.0611439
• Molar Refractivity: 83.2437 cm^3
• Polarizability: 32.597343 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true