4-(3,4-dimethoxybenzoyl)-2-(4-methylpentyl)morpholine

• ChemBase ID: 788790
• Molecular Formular: C19H29NO4
• Molecular Mass: 335.43786
• Monoisotopic Mass: 335.20965841
• SMILES: N1(C(=O)c2cc(c(cc2)OC)OC)CC(OCC1)CCCC(C)C
• Canonical SMILES: COc1cc(ccc1OC)C(=O)N1CCOC(C1)CCCC(C)C
• InChI: InChI=1S/C19H29NO4/c1-14(2)6-5-7-16-13-20(10-11-24-16)19(21)15-8-9-17(22-3)18(12-15)23-4/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3
• InChIKey: GXFWHENBBGLEKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-dimethoxybenzoyl)-2-(4-methylpentyl)morpholine
• IUPAC Traditional name: 4-(3,4-dimethoxybenzoyl)-2-(4-methylpentyl)morpholine
• Synonyms: 4-(3,4-dimethoxybenzoyl)-2-(4-methylpentyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2972176
• LogD (pH = 7.4): 3.2972178
• Log P: 3.2972178
• Molar Refractivity: 94.2251 cm^3
• Polarizability: 36.58028 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.7
• LOG S: -3.44
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4