N-[(2-methoxyphenyl)methyl]-2-(morpholin-2-yl)-N-propylacetamide

• ChemBase ID: 837531
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: C(=O)(CC1OCCNC1)N(Cc1c(OC)cccc1)CCC
• Canonical SMILES: CCCN(C(=O)CC1CNCCO1)Cc1ccccc1OC
• InChI: InChI=1S/C17H26N2O3/c1-3-9-19(13-14-6-4-5-7-16(14)21-2)17(20)11-15-12-18-8-10-22-15/h4-7,15,18H,3,8-13H2,1-2H3
• InChIKey: MQVRCXDQMREPJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-(morpholin-2-yl)-N-propylacetamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-(morpholin-2-yl)-N-propylacetamide
• Synonyms: N-(2-methoxybenzyl)-2-morpholin-2-yl-N-propylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3167708
• LogD (pH = 7.4): 0.3720589
• Log P: 1.4499259
• Molar Refractivity: 86.1861 cm^3
• Polarizability: 33.956093 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.92
• LOG S: -3.08
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7