(Z)-2-tetradecylicos-11-enamide

C34H67NO — CID 87077030

IUPAC(Z)-2-tetradecylicos-11-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(CCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-33(34(35)36)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,33H,3-16,19-32H2,1-2H3,(H2,35,36)/b18-17-
InChIKeyOOUCKDNGLKNUMM-ZCXUNETKSA-N
MW505.92 g/mol
LogP11.61
Rot. Bonds30

About (Z)-2-tetradecylicos-11-enamide

(Z)-2-tetradecylicos-11-enamide (PubChem CID 87077030) has the molecular formula C34H67NO and a molecular weight of 505.92 g/mol. Its IUPAC name is (Z)-2-tetradecylicos-11-enamide.

Molecular Properties

Compound Name(Z)-2-tetradecylicos-11-enamide
PubChem CID87077030
Molecular FormulaC34H67NO
Molecular Weight505.92 g/mol
Exact Mass505.52
IUPAC Name(Z)-2-tetradecylicos-11-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCC(CCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-33(34(35)36)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,33H,3-16,19-32H2,1-2H3,(H2,35,36)/b18-17-
InChIKeyOOUCKDNGLKNUMM-ZCXUNETKSA-N
XLogP11.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.92
LogP ≤ 511.61
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-tetradecylicos-11-enamide?
The IUPAC name of (Z)-2-tetradecylicos-11-enamide (CID 87077030) is (Z)-2-tetradecylicos-11-enamide.
What is the SMILES notation for (Z)-2-tetradecylicos-11-enamide?
The canonical SMILES for (Z)-2-tetradecylicos-11-enamide is CCCCCCCC/C=C\CCCCCCCCC(CCCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of (Z)-2-tetradecylicos-11-enamide?
The InChIKey is OOUCKDNGLKNUMM-ZCXUNETKSA-N. The full InChI is InChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-33(34(35)36)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,33H,3-16,19-32H2,1-2H3,(H2,35,36)/b18-17-.
What are the key properties of (Z)-2-tetradecylicos-11-enamide?
(Z)-2-tetradecylicos-11-enamide has a molecular weight of 505.92 g/mol, XLogP of 11.61, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tetradecylicos-11-enamide is sourced from PubChem (CID 87077030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).