N-[2-(1-benzyl-5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 182565
• Molecular Formular: C20H22N2O2
• Molecular Mass: 322.40088
• Monoisotopic Mass: 322.16812795
• SMILES: N1(C(=O)C(c2c1ccc(c2)C)CCNC(=O)C)Cc1ccccc1
• Canonical SMILES: CC(=O)NCCC1c2cc(C)ccc2N(C1=O)Cc1ccccc1
• InChI: InChI=1S/C20H22N2O2/c1-14-8-9-19-18(12-14)17(10-11-21-15(2)23)20(24)22(19)13-16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,23)
• InChIKey: ARPMFCUGFIYTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-benzyl-5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(1-benzyl-5-methyl-2-oxo-3H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164238475
• PubChem CID: 3736296

CALCULATED PROPERTIES

• Acid pKa: 13.555727
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4368515
• LogD (pH = 7.4): 2.4368515
• Log P: 2.436852
• Molar Refractivity: 94.5601 cm^3
• Polarizability: 36.248085 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds