N-cyclopropyl-N-({4-[3-(dimethylamino)propoxy]phenyl}methyl)cyclobutanecarboxamide

• ChemBase ID: 850169
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: N(C(=O)C1CCC1)(C1CC1)Cc1ccc(cc1)OCCCN(C)C
• Canonical SMILES: CN(CCCOc1ccc(cc1)CN(C(=O)C1CCC1)C1CC1)C
• InChI: InChI=1S/C20H30N2O2/c1-21(2)13-4-14-24-19-11-7-16(8-12-19)15-22(18-9-10-18)20(23)17-5-3-6-17/h7-8,11-12,17-18H,3-6,9-10,13-15H2,1-2H3
• InChIKey: CKNGWXTXEPUKTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-[3-(dimethylamino)propoxy]phenyl}methyl)cyclobutanecarboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-[3-(dimethylamino)propoxy]phenyl}methyl)cyclobutanecarboxamide
• Synonyms: N-cyclopropyl-N-{4-[3-(dimethylamino)propoxy]benzyl}cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5571992
• LogD (pH = 7.4): 0.89942676
• Log P: 2.7523994
• Molar Refractivity: 97.431 cm^3
• Polarizability: 38.063686 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.6
• LOG S: -2.41
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8