N-(3-ethoxypropyl)-2-[(3-methoxyphenyl)amino]butanamide

• ChemBase ID: 354302
• Molecular Formular: C16H26N2O3
• Molecular Mass: 294.38924
• Monoisotopic Mass: 294.1943427
• SMILES: C(=O)(C(Nc1cc(OC)ccc1)CC)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)C(Nc1cccc(c1)OC)CC
• InChI: InChI=1S/C16H26N2O3/c1-4-15(16(19)17-10-7-11-21-5-2)18-13-8-6-9-14(12-13)20-3/h6,8-9,12,15,18H,4-5,7,10-11H2,1-3H3,(H,17,19)
• InChIKey: CLYYXOSEVCPVBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)-2-[(3-methoxyphenyl)amino]butanamide
• IUPAC Traditional name: N-(3-ethoxypropyl)-2-[(3-methoxyphenyl)amino]butanamide
• Synonyms: N-(3-ethoxypropyl)-2-[(3-methoxyphenyl)amino]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.638951
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6440496
• LogD (pH = 7.4): 1.644147
• Log P: 1.6441482
• Molar Refractivity: 85.1939 cm^3
• Polarizability: 32.46201 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.56
• LOG S: -3.53
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 10