3-[3-(morpholin-4-yl)propyl]-1-[4-(oxolan-2-ylmethoxy)phenyl]urea

• ChemBase ID: 353089
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(Nc1ccc(OCC2OCCC2)cc1)NCCCN1CCOCC1
• Canonical SMILES: O=C(Nc1ccc(cc1)OCC1CCCO1)NCCCN1CCOCC1
• InChI: InChI=1S/C19H29N3O4/c23-19(20-8-2-9-22-10-13-24-14-11-22)21-16-4-6-17(7-5-16)26-15-18-3-1-12-25-18/h4-7,18H,1-3,8-15H2,(H2,20,21,23)
• InChIKey: JYTIEJPNDSYVKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(morpholin-4-yl)propyl]-1-[4-(oxolan-2-ylmethoxy)phenyl]urea
• IUPAC Traditional name: 3-[3-(morpholin-4-yl)propyl]-1-[4-(oxolan-2-ylmethoxy)phenyl]urea
• Synonyms: N-(3-morpholin-4-ylpropyl)-N'-[4-(tetrahydrofuran-2-ylmethoxy)phenyl]urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.20997
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.25500357
• LogD (pH = 7.4): 1.0858932
• Log P: 1.2221082
• Molar Refractivity: 101.1713 cm^3
• Polarizability: 38.747417 Å^3
• Polar Surface Area: 72.06 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.56
• LOG S: -2.33
• Polar Surface Area: 72.06 Å^2
• Rotatable Bonds: 8