N-cyclopentyl-4-(methylamino)-N-propylbenzamide

• ChemBase ID: 856512
• Molecular Formular: C16H24N2O
• Molecular Mass: 260.37456
• Monoisotopic Mass: 260.1888634
• SMILES: C(=O)(N(C1CCCC1)CCC)c1ccc(NC)cc1
• Canonical SMILES: CCCN(C(=O)c1ccc(cc1)NC)C1CCCC1
• InChI: InChI=1S/C16H24N2O/c1-3-12-18(15-6-4-5-7-15)16(19)13-8-10-14(17-2)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3
• InChIKey: OLLKZWHVVYPSAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-(methylamino)-N-propylbenzamide
• IUPAC Traditional name: N-cyclopentyl-4-(methylamino)-N-propylbenzamide
• Synonyms: N-cyclopentyl-4-(methylamino)-N-propylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9726105
• LogD (pH = 7.4): 2.9779797
• Log P: 2.9780486
• Molar Refractivity: 80.8094 cm^3
• Polarizability: 30.14715 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.8
• LOG S: -3.49
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5