icosa-2,4-dienamide

C20H37NO — CID 123364114

IUPACicosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCCC=CC=CC(N)=O
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H2,21,22)
InChIKeySNIUTNKNNXNVFA-UHFFFAOYSA-N
MW307.52 g/mol
LogP6.07
Rot. Bonds16

About icosa-2,4-dienamide

icosa-2,4-dienamide (PubChem CID 123364114) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is icosa-2,4-dienamide.

Molecular Properties

Compound Nameicosa-2,4-dienamide
PubChem CID123364114
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Nameicosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCCC=CC=CC(N)=O
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H2,21,22)
InChIKeySNIUTNKNNXNVFA-UHFFFAOYSA-N
XLogP6.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-deca-2,4-dienamide
CID 87184515
(Z)-non-2-enamide
CID 97047009
docosa-2,13-dienamide
CID 91597038
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
trideca-2,6-dienamide
CID 163862607
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-3,5,7-trien-2-one
CID 91106763

Frequently Asked Questions

What is the IUPAC name of icosa-2,4-dienamide?
The IUPAC name of icosa-2,4-dienamide (CID 123364114) is icosa-2,4-dienamide.
What is the SMILES notation for icosa-2,4-dienamide?
The canonical SMILES for icosa-2,4-dienamide is CCCCCCCCCCCCCCCC=CC=CC(N)=O.
What is the InChIKey of icosa-2,4-dienamide?
The InChIKey is SNIUTNKNNXNVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H2,21,22).
What are the key properties of icosa-2,4-dienamide?
icosa-2,4-dienamide has a molecular weight of 307.52 g/mol, XLogP of 6.07, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-2,4-dienamide is sourced from PubChem (CID 123364114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).