(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide

C20H37NO — CID 44561506

IUPAC(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide
SMILESCCCCCCCCNC(=O)/C=C/CC(C)CCC=C(C)C
InChIInChI=1S/C20H37NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h12-13,16,19H,5-11,14-15,17H2,1-4H3,(H,21,22)/b16-12+
InChIKeyHQRHYKPTSVGPJL-FOWTUZBSSA-N
MW307.52 g/mol
LogP5.79
Rot. Bonds13

About (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide

(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide (PubChem CID 44561506) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide.

Molecular Properties

Compound Name(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide
PubChem CID44561506
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide
SMILESCCCCCCCCNC(=O)/C=C/CC(C)CCC=C(C)C
InChIInChI=1S/C20H37NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h12-13,16,19H,5-11,14-15,17H2,1-4H3,(H,21,22)/b16-12+
InChIKeyHQRHYKPTSVGPJL-FOWTUZBSSA-N
XLogP5.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 87333364
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
CID 15276139
(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
CID 98562862
methyl (4Z)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733723
(Z)-5-methylundec-2-enoic acid
CID 155211364
(Z)-4-[[(Z)-docos-13-enyl]amino]-4-oxobut-2-enoic acid
CID 86748487
(Z)-N'-decylbut-2-enediamide
CID 87339219
N'-hexylbut-2-enediamide
CID 154301502

Frequently Asked Questions

What is the IUPAC name of (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide?
The IUPAC name of (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide (CID 44561506) is (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide.
What is the SMILES notation for (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide?
The canonical SMILES for (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide is CCCCCCCCNC(=O)/C=C/CC(C)CCC=C(C)C.
What is the InChIKey of (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide?
The InChIKey is HQRHYKPTSVGPJL-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H37NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h12-13,16,19H,5-11,14-15,17H2,1-4H3,(H,21,22)/b16-12+.
What are the key properties of (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide?
(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide has a molecular weight of 307.52 g/mol, XLogP of 5.79, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide is sourced from PubChem (CID 44561506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).