N-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}-3-(7-methoxy-1H-indol-1-yl)propanamide

• ChemBase ID: 224367
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: n1(ccc2c1c(OC)ccc2)CCC(=O)NCC1C2C=CC(C2)C1
• Canonical SMILES: COc1cccc2c1n(CCC(=O)NCC1CC3CC1C=C3)cc2
• InChI: InChI=1S/C20H24N2O2/c1-24-18-4-2-3-15-7-9-22(20(15)18)10-8-19(23)21-13-17-12-14-5-6-16(17)11-14/h2-7,9,14,16-17H,8,10-13H2,1H3,(H,21,23)
• InChIKey: AVUFHUJGRKQEIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}-3-(7-methoxy-1H-indol-1-yl)propanamide
• IUPAC Traditional name: N-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}-3-(7-methoxyindol-1-yl)propanamide

Database IDs

• PubChem SID: 164280277
• PubChem CID: 51052325

CALCULATED PROPERTIES

• Acid pKa: 15.939816
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6878471
• LogD (pH = 7.4): 2.6878474
• Log P: 2.6878474
• Molar Refractivity: 95.5629 cm^3
• Polarizability: 37.839764 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds