2-methyl-N,3-dioctylundec-2-enamide

C28H55NO — CID 141277198

IUPAC2-methyl-N,3-dioctylundec-2-enamide
SMILESCCCCCCCCNC(=O)C(C)=C(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H55NO/c1-5-8-11-14-17-20-23-27(24-21-18-15-12-9-6-2)26(4)28(30)29-25-22-19-16-13-10-7-3/h5-25H2,1-4H3,(H,29,30)
InChIKeyWYSKMSYNGHTKQR-UHFFFAOYSA-N
MW421.75 g/mol
LogP9.28
Rot. Bonds22

About 2-methyl-N,3-dioctylundec-2-enamide

2-methyl-N,3-dioctylundec-2-enamide (PubChem CID 141277198) has the molecular formula C28H55NO and a molecular weight of 421.75 g/mol. Its IUPAC name is 2-methyl-N,3-dioctylundec-2-enamide.

Molecular Properties

Compound Name2-methyl-N,3-dioctylundec-2-enamide
PubChem CID141277198
Molecular FormulaC28H55NO
Molecular Weight421.75 g/mol
Exact Mass421.43
IUPAC Name2-methyl-N,3-dioctylundec-2-enamide
SMILESCCCCCCCCNC(=O)C(C)=C(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C28H55NO/c1-5-8-11-14-17-20-23-27(24-21-18-15-12-9-6-2)26(4)28(30)29-25-22-19-16-13-10-7-3/h5-25H2,1-4H3,(H,29,30)
InChIKeyWYSKMSYNGHTKQR-UHFFFAOYSA-N
XLogP9.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 59.28
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'}

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Related Compounds

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N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodec-2-enamide
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(E)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodec-2-enamide
CID 5458666
N-[2-(cyclohexen-1-yl)ethyl]propanamide
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N-(2-methylpentadec-2-en-5-yl)acetamide
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(1E)-N-butyl-2-methylcyclooctene-1-carboxamide
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(3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide
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N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]hexadecanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,3-dioctylundec-2-enamide?
The IUPAC name of 2-methyl-N,3-dioctylundec-2-enamide (CID 141277198) is 2-methyl-N,3-dioctylundec-2-enamide.
What is the SMILES notation for 2-methyl-N,3-dioctylundec-2-enamide?
The canonical SMILES for 2-methyl-N,3-dioctylundec-2-enamide is CCCCCCCCNC(=O)C(C)=C(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 2-methyl-N,3-dioctylundec-2-enamide?
The InChIKey is WYSKMSYNGHTKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55NO/c1-5-8-11-14-17-20-23-27(24-21-18-15-12-9-6-2)26(4)28(30)29-25-22-19-16-13-10-7-3/h5-25H2,1-4H3,(H,29,30).
What are the key properties of 2-methyl-N,3-dioctylundec-2-enamide?
2-methyl-N,3-dioctylundec-2-enamide has a molecular weight of 421.75 g/mol, XLogP of 9.28, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,3-dioctylundec-2-enamide is sourced from PubChem (CID 141277198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).