2-methylicosa-11,14-dienamide

C21H39NO — CID 175746328

IUPAC2-methylicosa-11,14-dienamide
SMILESCCCCCC=CCC=CCCCCCCCCC(C)C(N)=O
InChIInChI=1S/C21H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h7-8,10-11,20H,3-6,9,12-19H2,1-2H3,(H2,22,23)
InChIKeyKQXWLLGHPMSAJT-UHFFFAOYSA-N
MW321.55 g/mol
LogP6.31
Rot. Bonds16

About 2-methylicosa-11,14-dienamide

2-methylicosa-11,14-dienamide (PubChem CID 175746328) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-methylicosa-11,14-dienamide.

Molecular Properties

Compound Name2-methylicosa-11,14-dienamide
PubChem CID175746328
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name2-methylicosa-11,14-dienamide
SMILESCCCCCC=CCC=CCCCCCCCCC(C)C(N)=O
InChIInChI=1S/C21H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h7-8,10-11,20H,3-6,9,12-19H2,1-2H3,(H2,22,23)
InChIKeyKQXWLLGHPMSAJT-UHFFFAOYSA-N
XLogP6.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.31
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'}

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Related Compounds

(E)-2-methyloctadec-9-enamide
CID 19371032
2-methyldocosa-7,10,13,16-tetraenoic acid
CID 173392719
2-methylheptanamide;2-methylhexanamide
CID 160718848
2-hexadecylicos-11-enamide
CID 173011844
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
ethyl 2-methylicosa-11,14,17-trienoate
CID 72538095
ethyl 2-methyloctadeca-9,12,15-trienoate
CID 72538146
(Z)-2-aminooctadec-9-enamide
CID 56663673
19,21-di(heptadecyl)nonatriaconta-6,9,30,33-tetraen-20-one
CID 123225204
(Z,2S)-2-methyloctadec-9-enoyl chloride
CID 129408802
2-methylnon-7-enamide
CID 142782091
6-methyltetracosa-10,13,16,19-tetraen-7-one
CID 123315985

Frequently Asked Questions

What is the IUPAC name of 2-methylicosa-11,14-dienamide?
The IUPAC name of 2-methylicosa-11,14-dienamide (CID 175746328) is 2-methylicosa-11,14-dienamide.
What is the SMILES notation for 2-methylicosa-11,14-dienamide?
The canonical SMILES for 2-methylicosa-11,14-dienamide is CCCCCC=CCC=CCCCCCCCCC(C)C(N)=O.
What is the InChIKey of 2-methylicosa-11,14-dienamide?
The InChIKey is KQXWLLGHPMSAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h7-8,10-11,20H,3-6,9,12-19H2,1-2H3,(H2,22,23).
What are the key properties of 2-methylicosa-11,14-dienamide?
2-methylicosa-11,14-dienamide has a molecular weight of 321.55 g/mol, XLogP of 6.31, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylicosa-11,14-dienamide is sourced from PubChem (CID 175746328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).