3-(2-methoxy-5-phenylphenyl)-1-(morpholin-2-ylmethyl)urea

• ChemBase ID: 662520
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: C(=O)(Nc1cc(ccc1OC)c1ccccc1)NCC1OCCNC1
• Canonical SMILES: COc1ccc(cc1NC(=O)NCC1OCCNC1)c1ccccc1
• InChI: InChI=1S/C19H23N3O3/c1-24-18-8-7-15(14-5-3-2-4-6-14)11-17(18)22-19(23)21-13-16-12-20-9-10-25-16/h2-8,11,16,20H,9-10,12-13H2,1H3,(H2,21,22,23)
• InChIKey: XLENAVGNCFBDTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxy-5-phenylphenyl)-1-(morpholin-2-ylmethyl)urea
• IUPAC Traditional name: 3-(2-methoxy-5-phenylphenyl)-1-(morpholin-2-ylmethyl)urea
• Synonyms: N-(4-methoxybiphenyl-3-yl)-N'-(morpholin-2-ylmethyl)urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.906799
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.6338425
• LogD (pH = 7.4): 1.0753299
• Log P: 2.067504
• Molar Refractivity: 97.5629 cm^3
• Polarizability: 38.66348 Å^3
• Polar Surface Area: 71.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.56
• LOG S: -3.02
• Polar Surface Area: 71.62 Å^2
• Rotatable Bonds: 5