3-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(propan-2-yl)propanamide

• ChemBase ID: 219755
• Molecular Formular: C19H27N3O5
• Molecular Mass: 377.43478
• Monoisotopic Mass: 377.19507098
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC(C)C)CCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CCN1C(=O)N[C@H](C1=O)CCC(=O)NC(C)C
• InChI: InChI=1S/C19H27N3O5/c1-12(2)20-17(23)8-6-14-18(24)22(19(25)21-14)10-9-13-5-7-15(26-3)16(11-13)27-4/h5,7,11-12,14H,6,8-10H2,1-4H3,(H,20,23)(H,21,25)/t14-/m0/s1
• InChIKey: UTGMKBRUQDJYFY-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(propan-2-yl)propanamide
• IUPAC Traditional name: 3-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-isopropylpropanamide

Database IDs

• PubChem SID: 164275665
• PubChem CID: 16409646

CALCULATED PROPERTIES

• Acid pKa: 11.614212
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.8769765
• LogD (pH = 7.4): 0.87695116
• Log P: 0.8769774
• Molar Refractivity: 99.4074 cm^3
• Polarizability: 38.57875 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds