N-benzyl-N-[5-methyl-2-(propan-2-yl)cyclohexyl]cyclohexanecarboxamide

• ChemBase ID: 82076
• Molecular Formular: C24H37NO
• Molecular Mass: 355.55668
• Monoisotopic Mass: 355.28751481
• SMILES: N(C1C(CCC(C1)C)C(C)C)(C(=O)C1CCCCC1)Cc1ccccc1
• Canonical SMILES: CC1CCC(C(C1)N(C(=O)C1CCCCC1)Cc1ccccc1)C(C)C
• InChI: InChI=1S/C24H37NO/c1-18(2)22-15-14-19(3)16-23(22)25(17-20-10-6-4-7-11-20)24(26)21-12-8-5-9-13-21/h4,6-7,10-11,18-19,21-23H,5,8-9,12-17H2,1-3H3
• InChIKey: VSVORUIMESBOHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[5-methyl-2-(propan-2-yl)cyclohexyl]cyclohexanecarboxamide
• IUPAC Traditional name: N-benzyl-N-[5-methyl-2-(propan-2-yl)cyclohexyl]cyclohexanecarboxamide
• Synonyms: N1-benzyl-N1-(2-isopropyl-5-methylcyclohexyl)cyclohexane-1-carboxamide

Database IDs

• MDL Number: MFCD00830690
• PubChem SID: 162069195
• PubChem CID: 2778073

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.437862
• LogD (pH = 7.4): 6.437889
• Log P: 6.4378896
• Molar Refractivity: 109.2581 cm^3
• Polarizability: 43.268677 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false