N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)morpholine-2-carboxamide

• ChemBase ID: 818617
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: C(=O)(N(Cc1cc(OC)ccc1)CCCOC)C1OCCNC1
• Canonical SMILES: COCCCN(C(=O)C1OCCNC1)Cc1cccc(c1)OC
• InChI: InChI=1S/C17H26N2O4/c1-21-9-4-8-19(17(20)16-12-18-7-10-23-16)13-14-5-3-6-15(11-14)22-2/h3,5-6,11,16,18H,4,7-10,12-13H2,1-2H3
• InChIKey: UFPVISLQMOYJQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)morpholine-2-carboxamide
• IUPAC Traditional name: N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)morpholine-2-carboxamide
• Synonyms: N-(3-methoxybenzyl)-N-(3-methoxypropyl)morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.95143
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6945695
• LogD (pH = 7.4): 0.0018214247
• Log P: 0.49875626
• Molar Refractivity: 88.1981 cm^3
• Polarizability: 34.65939 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.14
• LOG S: -2.98
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8