N-[(2-ethoxyphenyl)methyl]-3-(morpholin-4-yl)-N-(prop-2-en-1-yl)butanamide

• ChemBase ID: 773818
• Molecular Formular: C20H30N2O3
• Molecular Mass: 346.4638
• Monoisotopic Mass: 346.22564283
• SMILES: C(=O)(CC(N1CCOCC1)C)N(Cc1c(OCC)cccc1)CC=C
• Canonical SMILES: C=CCN(C(=O)CC(N1CCOCC1)C)Cc1ccccc1OCC
• InChI: InChI=1S/C20H30N2O3/c1-4-10-22(16-18-8-6-7-9-19(18)25-5-2)20(23)15-17(3)21-11-13-24-14-12-21/h4,6-9,17H,1,5,10-16H2,2-3H3
• InChIKey: FCIMVLHYEZEZAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxyphenyl)methyl]-3-(morpholin-4-yl)-N-(prop-2-en-1-yl)butanamide
• IUPAC Traditional name: N-[(2-ethoxyphenyl)methyl]-3-(morpholin-4-yl)-N-(prop-2-en-1-yl)butanamide
• Synonyms: N-allyl-N-(2-ethoxybenzyl)-3-morpholin-4-ylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.48369566
• LogD (pH = 7.4): 2.0870488
• Log P: 2.3985093
• Molar Refractivity: 100.8681 cm^3
• Polarizability: 39.23972 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.16
• LOG S: -4.43
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9