N,N-bis({2-[N-(3,7-dimethyloct-6-en-1-yl)acetamido]ethyl})acetamide

• ChemBase ID: 188015
• Molecular Formular: C30H55N3O3
• Molecular Mass: 505.776
• Monoisotopic Mass: 505.42434264
• SMILES: C(=O)(N(CCN(C(=O)C)CCN(C(=O)C)CCC(CCC=C(C)C)C)CCC(CCC=C(C)C)C)C
• Canonical SMILES: CC(CCC=C(C)C)CCN(C(=O)C)CCN(C(=O)C)CCN(C(=O)C)CCC(CCC=C(C)C)C
• InChI: InChI=1S/C30H55N3O3/c1-24(2)12-10-14-26(5)16-18-31(28(7)34)20-22-33(30(9)36)23-21-32(29(8)35)19-17-27(6)15-11-13-25(3)4/h12-13,26-27H,10-11,14-23H2,1-9H3
• InChIKey: MITIMAMGYOHSHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis({2-[N-(3,7-dimethyloct-6-en-1-yl)acetamido]ethyl})acetamide
• IUPAC Traditional name: N,N-bis({2-[N-(3,7-dimethyloct-6-en-1-yl)acetamido]ethyl})acetamide

Database IDs

• PubChem SID: 164243925
• PubChem CID: 3814332

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4494047
• LogD (pH = 7.4): 4.449406
• Log P: 4.449406
• Molar Refractivity: 153.2895 cm^3
• Polarizability: 59.1303 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds