N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-2,3-dihydro-1H-indene-5-carboxamide

• ChemBase ID: 847336
• Molecular Formular: C19H26N2O
• Molecular Mass: 298.42254
• Monoisotopic Mass: 298.20451346
• SMILES: C(=O)(N[C@@H]1[C@H](NC2CCCC2)CC1)c1cc2c(cc1)CCC2
• Canonical SMILES: O=C(c1ccc2c(c1)CCC2)N[C@H]1CC[C@H]1NC1CCCC1
• InChI: InChI=1S/C19H26N2O/c22-19(15-9-8-13-4-3-5-14(13)12-15)21-18-11-10-17(18)20-16-6-1-2-7-16/h8-9,12,16-18,20H,1-7,10-11H2,(H,21,22)/t17-,18+/m1/s1
• InChIKey: AHGDZUCSZLQNGX-MSOLQXFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-2,3-dihydro-1H-indene-5-carboxamide
• IUPAC Traditional name: N-[(1S,2R)-2-(cyclopentylamino)cyclobutyl]-2,3-dihydro-1H-indene-5-carboxamide
• Synonyms: N-[(1S*,2R*)-2-(cyclopentylamino)cyclobutyl]-5-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.322984
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.35945514
• LogD (pH = 7.4): 1.1600529
• Log P: 3.5708778
• Molar Refractivity: 88.9333 cm^3
• Polarizability: 34.44787 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: 3.13
• LOG S: -4.05
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4