(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide

C37H69NO2 — CID 87122840

IUPAC(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C37H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(39)38(3)37(40)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-35H2,1-3H3/b20-18-,21-19-
InChIKeyJXLQRECGAGDWSQ-AUYXYSRISA-N
MW559.96 g/mol
LogP12.05
Rot. Bonds30

About (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide

(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide (PubChem CID 87122840) has the molecular formula C37H69NO2 and a molecular weight of 559.96 g/mol. Its IUPAC name is (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
PubChem CID87122840
Molecular FormulaC37H69NO2
Molecular Weight559.96 g/mol
Exact Mass559.53
IUPAC Name(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C37H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(39)38(3)37(40)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-35H2,1-3H3/b20-18-,21-19-
InChIKeyJXLQRECGAGDWSQ-AUYXYSRISA-N
XLogP12.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.96
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-decanoyl-N-methyldecanamide
CID 141076390
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
CID 174485021
(Z)-N-ethyl-N-hydroxyoctadec-9-enamide
CID 175574437
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide
CID 158023886
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
10-[di(octadec-9-enoyl)amino]-10-oxodecanoic acid
CID 154082750

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide?
The IUPAC name of (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide (CID 87122840) is (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide?
The canonical SMILES for (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(C)C(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide?
The InChIKey is JXLQRECGAGDWSQ-AUYXYSRISA-N. The full InChI is InChI=1S/C37H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(39)38(3)37(40)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-35H2,1-3H3/b20-18-,21-19-.
What are the key properties of (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide?
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide has a molecular weight of 559.96 g/mol, XLogP of 12.05, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide is sourced from PubChem (CID 87122840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).