2-[(2,3-dihydro-1H-inden-2-yl)amino]-N-ethylpropanamide

• ChemBase ID: 316785
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(C(NC1Cc2c(C1)cccc2)C)NCC
• Canonical SMILES: CCNC(=O)C(NC1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C14H20N2O/c1-3-15-14(17)10(2)16-13-8-11-6-4-5-7-12(11)9-13/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,15,17)
• InChIKey: OEXBBQPWZUQSBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,3-dihydro-1H-inden-2-yl)amino]-N-ethylpropanamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylpropanamide
• Synonyms: 2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.926324
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1936018
• LogD (pH = 7.4): 0.39822343
• Log P: 1.7402004
• Molar Refractivity: 69.0868 cm^3
• Polarizability: 26.91541 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.56
• LOG S: -2.22
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4