N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}propanamide

• ChemBase ID: 460400
• Molecular Formular: C20H39N3O3
• Molecular Mass: 369.54196
• Monoisotopic Mass: 369.29914212
• SMILES: N(C(=O)CCOC)(CC1N(CCC1)CC)CC1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)CN(C(=O)CCOC)CC1CCCN1CC
• InChI: InChI=1S/C20H39N3O3/c1-4-22-10-5-6-19(22)17-23(20(24)9-14-25-2)16-18-7-11-21(12-8-18)13-15-26-3/h18-19H,4-17H2,1-3H3
• InChIKey: AQRPVNOXERLWEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}propanamide
• IUPAC Traditional name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}propanamide
• Synonyms: N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.4182777
• LogD (pH = 7.4): -2.0710306
• Log P: 0.7614034
• Molar Refractivity: 106.7036 cm^3
• Polarizability: 41.753986 Å^3
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.09
• LOG S: 0.53
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 8