N-[3-(5-methyl-1H-indol-3-yl)propyl]acetamide

• ChemBase ID: 192666
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: [nH]1cc(c2c1ccc(c2)C)CCCNC(=O)C
• Canonical SMILES: CC(=O)NCCCc1c[nH]c2c1cc(C)cc2
• InChI: InChI=1S/C14H18N2O/c1-10-5-6-14-13(8-10)12(9-16-14)4-3-7-15-11(2)17/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
• InChIKey: MIDGDDFMMSNBFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-methyl-1H-indol-3-yl)propyl]acetamide
• IUPAC Traditional name: N-[3-(5-methyl-1H-indol-3-yl)propyl]acetamide

Database IDs

• PubChem SID: 164248576
• PubChem CID: 1713585

CALCULATED PROPERTIES

• Acid pKa: 16.090612
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.2632737
• LogD (pH = 7.4): 2.2632742
• Log P: 2.2632742
• Molar Refractivity: 69.4589 cm^3
• Polarizability: 27.745409 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds