N-[3-(dimethylamino)propyl]-N-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}acetamide

• ChemBase ID: 183427
• Molecular Formular: C21H38N2O
• Molecular Mass: 334.53922
• Monoisotopic Mass: 334.29841385
• SMILES: N(C(=O)C)(CC1C(CC(=CC1)CCC=C(C)C)C)CCCN(C)C
• Canonical SMILES: CN(CCCN(C(=O)C)CC1CC=C(CC1C)CCC=C(C)C)C
• InChI: InChI=1S/C21H38N2O/c1-17(2)9-7-10-20-11-12-21(18(3)15-20)16-23(19(4)24)14-8-13-22(5)6/h9,11,18,21H,7-8,10,12-16H2,1-6H3
• InChIKey: YFSDFXHVCMRUBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-N-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}acetamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-N-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}acetamide

Database IDs

• PubChem SID: 164239337
• PubChem CID: 3435540

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.11439924
• LogD (pH = 7.4): 1.5458432
• Log P: 3.4381244
• Molar Refractivity: 106.6386 cm^3
• Polarizability: 40.969044 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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