N-[(2R,3R)-2-ethoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 582457
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OCC)NC(=O)CN1C(=O)CCC1
• Canonical SMILES: CCO[C@H]1[C@H](NC(=O)CN2CCCC2=O)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C21H29N3O3/c1-2-27-20-19(23-17(25)14-24-13-5-8-18(24)26)15-6-3-4-7-16(15)21(20)9-11-22-12-10-21/h3-4,6-7,19-20,22H,2,5,8-14H2,1H3,(H,23,25)/t19-,20+/m1/s1
• InChIKey: LBYNWYPYXKTORK-UXHICEINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,3R)-2-ethoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(2R,3R)-2-ethoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
• Synonyms: N-[(2R*,3R*)-2-ethoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(2-oxo-1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.092625
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8836148
• LogD (pH = 7.4): -2.1835356
• Log P: 0.3355412
• Molar Refractivity: 103.1127 cm^3
• Polarizability: 40.398457 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.55
• LOG S: -3.23
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5