N-[3-({[2-(2-oxoimidazolidin-1-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide

• ChemBase ID: 594894
• Molecular Formular: C16H22N4O4
• Molecular Mass: 334.37028
• Monoisotopic Mass: 334.1641052
• SMILES: C1(=O)N(CCNC(=O)COc2cc(NC(=O)CC)ccc2)CCN1
• Canonical SMILES: CCC(=O)Nc1cccc(c1)OCC(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C16H22N4O4/c1-2-14(21)19-12-4-3-5-13(10-12)24-11-15(22)17-6-8-20-9-7-18-16(20)23/h3-5,10H,2,6-9,11H2,1H3,(H,17,22)(H,18,23)(H,19,21)
• InChIKey: UWCVMTFHENWSGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-({[2-(2-oxoimidazolidin-1-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide
• IUPAC Traditional name: N-[3-({[2-(2-oxoimidazolidin-1-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide
• Synonyms: N-[3-(2-oxo-2-{[2-(2-oxoimidazolidin-1-yl)ethyl]amino}ethoxy)phenyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.286786
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.38731804
• LogD (pH = 7.4): -0.38731855
• Log P: -0.38731802
• Molar Refractivity: 88.7093 cm^3
• Polarizability: 33.515144 Å^3
• Polar Surface Area: 99.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.2
• LOG S: -3.12
• Polar Surface Area: 99.77 Å^2
• Rotatable Bonds: 8