N-[(3-chlorophenyl)methyl]-2-methoxy-N-propylbutanamide

• ChemBase ID: 735329
• Molecular Formular: C15H22ClNO2
• Molecular Mass: 283.79368
• Monoisotopic Mass: 283.13390663
• SMILES: C(=O)(N(Cc1cc(Cl)ccc1)CCC)C(OC)CC
• Canonical SMILES: CCCN(C(=O)C(OC)CC)Cc1cccc(c1)Cl
• InChI: InChI=1S/C15H22ClNO2/c1-4-9-17(15(18)14(5-2)19-3)11-12-7-6-8-13(16)10-12/h6-8,10,14H,4-5,9,11H2,1-3H3
• InChIKey: WTDZXJBMWZYVBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-chlorophenyl)methyl]-2-methoxy-N-propylbutanamide
• IUPAC Traditional name: N-[(3-chlorophenyl)methyl]-2-methoxy-N-propylbutanamide
• Synonyms: N-(3-chlorobenzyl)-2-methoxy-N-propylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.542077
• LogD (pH = 7.4): 3.542077
• Log P: 3.542077
• Molar Refractivity: 78.4206 cm^3
• Polarizability: 30.663355 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.7
• LOG S: -4.43
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7