N-(2,3-dihydro-1H-inden-2-yl)-2-(methylamino)acetamide

• ChemBase ID: 124740
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: C1(NC(=O)CNC)Cc2c(C1)cccc2
• Canonical SMILES: CNCC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C12H16N2O/c1-13-8-12(15)14-11-6-9-4-2-3-5-10(9)7-11/h2-5,11,13H,6-8H2,1H3,(H,14,15)
• InChIKey: NUTBKVDHQYWFMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2-(methylamino)acetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2-(methylamino)acetamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-2-(methylamino)acetamide

Database IDs

• PubChem SID: 162219093
• PubChem CID: 51052068

CALCULATED PROPERTIES

• Acid pKa: 15.640523
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1563454
• LogD (pH = 7.4): -0.59967184
• Log P: 0.8146282
• Molar Refractivity: 59.8443 cm^3
• Polarizability: 23.382343 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true