4-{2-[(4-methoxyphenyl)methyl]morpholine-4-carbonyl}-N,N-dimethylaniline

• ChemBase ID: 862778
• Molecular Formular: C21H26N2O3
• Molecular Mass: 354.44274
• Monoisotopic Mass: 354.1943427
• SMILES: N1(C(=O)c2ccc(N(C)C)cc2)CC(OCC1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC1OCCN(C1)C(=O)c1ccc(cc1)N(C)C
• InChI: InChI=1S/C21H26N2O3/c1-22(2)18-8-6-17(7-9-18)21(24)23-12-13-26-20(15-23)14-16-4-10-19(25-3)11-5-16/h4-11,20H,12-15H2,1-3H3
• InChIKey: CAWDGKINJAZXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[(4-methoxyphenyl)methyl]morpholine-4-carbonyl}-N,N-dimethylaniline
• IUPAC Traditional name: 4-{2-[(4-methoxyphenyl)methyl]morpholine-4-carbonyl}-N,N-dimethylaniline
• Synonyms: (4-{[2-(4-methoxybenzyl)-4-morpholinyl]carbonyl}phenyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0720634
• LogD (pH = 7.4): 3.0759618
• Log P: 3.0760117
• Molar Refractivity: 103.9339 cm^3
• Polarizability: 39.26161 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.25
• LOG S: -4.2
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3