N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide

C18H33NO — CID 76600040

IUPACN-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
SMILESCCCC(=O)N(CC=C(C)CCC=C(C)C)CC(C)C
InChIInChI=1S/C18H33NO/c1-7-9-18(20)19(14-16(4)5)13-12-17(6)11-8-10-15(2)3/h10,12,16H,7-9,11,13-14H2,1-6H3
InChIKeyZBBLGSZCBKISIU-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.96
Rot. Bonds9

About N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide

N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide (PubChem CID 76600040) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
PubChem CID76600040
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
SMILESCCCC(=O)N(CC=C(C)CCC=C(C)C)CC(C)C
InChIInChI=1S/C18H33NO/c1-7-9-18(20)19(14-16(4)5)13-12-17(6)11-8-10-15(2)3/h10,12,16H,7-9,11,13-14H2,1-6H3
InChIKeyZBBLGSZCBKISIU-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide
CID 76599958
N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide
CID 76600264
2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide
CID 54407553
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
ethyl 2-(diethoxyphosphorylmethyl)-3-[methyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]-3-oxopropanoate
CID 10345855
N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
CID 76600230
(2E)-3,7-dimethyl-N-(3-methylbutyl)-N-prop-2-enylocta-2,6-dien-1-amine
CID 138519061
acetic acid;3,7-dimethylocta-2,6-dien-1-ol;2,6-dimethyloctane
CID 173130176
(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 88637631
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] butanoate
CID 147657176
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide (CID 76600040) is N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide is CCCC(=O)N(CC=C(C)CCC=C(C)C)CC(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide?
The InChIKey is ZBBLGSZCBKISIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-7-9-18(20)19(14-16(4)5)13-12-17(6)11-8-10-15(2)3/h10,12,16H,7-9,11,13-14H2,1-6H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide?
N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide has a molecular weight of 279.47 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 76600040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).