(Z)-N-dodecyldocos-13-enamide

C34H67NO — CID 87733981

IUPAC(Z)-N-dodecyldocos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34(36)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17H,3-15,18-33H2,1-2H3,(H,35,36)/b17-16-
InChIKeyNHXDKPNXBDJPBO-MSUUIHNZSA-N
MW505.92 g/mol
LogP11.62
Rot. Bonds30

About (Z)-N-dodecyldocos-13-enamide

(Z)-N-dodecyldocos-13-enamide (PubChem CID 87733981) has the molecular formula C34H67NO and a molecular weight of 505.92 g/mol. Its IUPAC name is (Z)-N-dodecyldocos-13-enamide.

Molecular Properties

Compound Name(Z)-N-dodecyldocos-13-enamide
PubChem CID87733981
Molecular FormulaC34H67NO
Molecular Weight505.92 g/mol
Exact Mass505.52
IUPAC Name(Z)-N-dodecyldocos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34(36)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17H,3-15,18-33H2,1-2H3,(H,35,36)/b17-16-
InChIKeyNHXDKPNXBDJPBO-MSUUIHNZSA-N
XLogP11.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.92
LogP ≤ 511.62
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

N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-butyloctadec-9-enamide
CID 6436496
N-hexadecyloctadec-9-enamide;sulfuric acid
CID 173436685
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dodecyldocos-13-enamide?
The IUPAC name of (Z)-N-dodecyldocos-13-enamide (CID 87733981) is (Z)-N-dodecyldocos-13-enamide.
What is the SMILES notation for (Z)-N-dodecyldocos-13-enamide?
The canonical SMILES for (Z)-N-dodecyldocos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCCCCCCCCCC.
What is the InChIKey of (Z)-N-dodecyldocos-13-enamide?
The InChIKey is NHXDKPNXBDJPBO-MSUUIHNZSA-N. The full InChI is InChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34(36)35-33-31-29-27-25-14-12-10-8-6-4-2/h16-17H,3-15,18-33H2,1-2H3,(H,35,36)/b17-16-.
What are the key properties of (Z)-N-dodecyldocos-13-enamide?
(Z)-N-dodecyldocos-13-enamide has a molecular weight of 505.92 g/mol, XLogP of 11.62, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dodecyldocos-13-enamide is sourced from PubChem (CID 87733981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).