N-(3-methoxyphenyl)-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-yl)propanamide

• ChemBase ID: 181842
• Molecular Formular: C24H35NO2
• Molecular Mass: 369.5402
• Monoisotopic Mass: 369.26677937
• SMILES: N(c1cc(OC)ccc1)(C(=O)CC)CC(C=C=C(CCC=C(C)C)C)(C)C
• Canonical SMILES: CCC(=O)N(c1cccc(c1)OC)CC(C=C=C(CCC=C(C)C)C)(C)C
• InChI: InChI=1S/C24H35NO2/c1-8-23(26)25(21-13-10-14-22(17-21)27-7)18-24(5,6)16-15-20(4)12-9-11-19(2)3/h10-11,13-14,16-17H,8-9,12,18H2,1-7H3
• InChIKey: NUZNWKXAQKKACO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-yl)propanamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-N-(2,2,5,9-tetramethyldeca-3,4,8-trien-1-yl)propanamide

Database IDs

• PubChem SID: 164237752
• PubChem CID: 4371408

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.907404
• LogD (pH = 7.4): 5.907404
• Log P: 5.907404
• Molar Refractivity: 115.9542 cm^3
• Polarizability: 44.35482 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds