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

• ChemBase ID: 124743
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C1(NC(=O)CN)Cc2c(C1)cccc2
• Canonical SMILES: NCC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C11H14N2O/c12-7-11(14)13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7,12H2,(H,13,14)
• InChIKey: UWPTYLJSWCCUFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,3-dihydro-1H-inden-2-yl)acetamide
• IUPAC Traditional name: indantadol
• Synonyms: 2-amino-N-(2,3-dihydro-1H-inden-2-yl)acetamide; Indantadol

Database IDs

• CAS Number: 202844-10-8
• PubChem SID: 162219096
• PubChem CID: 17854832
• Chemspider ID: 16017060
• Unique Ingredient Identifier: Z3867B9SQP
• Wikipedia Title: Indantadol

CALCULATED PROPERTIES

• Acid pKa: 15.58393
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.110766
• LogD (pH = 7.4): -0.42756137
• Log P: 0.3820478
• Molar Refractivity: 55.0697 cm^3
• Polarizability: 21.538565 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled