ethene;octadecanoic acid;(Z)-octadec-9-enamide

C38H75NO3 — CID 174797069

IUPACethene;octadecanoic acid;(Z)-octadec-9-enamide
SMILESC=C.CCCCCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H35NO.C18H36O2.C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2/h9-10H,2-8,11-17H2,1H3,(H2,19,20);2-17H2,1H3,(H,19,20);1-2H2/b10-9-;;
InChIKeyOUIZZJDWVBHHKP-XXAVUKJNSA-N
MW594.02 g/mol
LogP12.64
Rot. Bonds31

About ethene;octadecanoic acid;(Z)-octadec-9-enamide

ethene;octadecanoic acid;(Z)-octadec-9-enamide (PubChem CID 174797069) has the molecular formula C38H75NO3 and a molecular weight of 594.02 g/mol. Its IUPAC name is ethene;octadecanoic acid;(Z)-octadec-9-enamide.

Molecular Properties

Compound Nameethene;octadecanoic acid;(Z)-octadec-9-enamide
PubChem CID174797069
Molecular FormulaC38H75NO3
Molecular Weight594.02 g/mol
Exact Mass593.57
IUPAC Nameethene;octadecanoic acid;(Z)-octadec-9-enamide
SMILESC=C.CCCCCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H35NO.C18H36O2.C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2/h9-10H,2-8,11-17H2,1H3,(H2,19,20);2-17H2,1H3,(H,19,20);1-2H2/b10-9-;;
InChIKeyOUIZZJDWVBHHKP-XXAVUKJNSA-N
XLogP12.64
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.02
LogP ≤ 512.64
H-Bond Donors ≤ 52
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 ethene;octadecanoic acid;(Z)-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

octadecanamide;octadec-9-enoic acid
CID 173130068
ethene;octadec-9-enoic acid
CID 173100265
octadec-15-enamide;octadec-9-enoic acid
CID 159102720
formaldehyde;octadec-9-enoic acid
CID 159210703
(E)-hexadec-8-enoic acid
CID 6430788
(Z)-tetratriacont-9-enamide
CID 86624387
heptacos-7-enoic acid
CID 169277112
(Z)-(1,2,3,7,8-13C5)octadec-9-enoic acid
CID 117064632
(Z)-tricos-15-enamide
CID 155109212
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
(E)-icos-11-enamide
CID 5365373

Frequently Asked Questions

What is the IUPAC name of ethene;octadecanoic acid;(Z)-octadec-9-enamide?
The IUPAC name of ethene;octadecanoic acid;(Z)-octadec-9-enamide (CID 174797069) is ethene;octadecanoic acid;(Z)-octadec-9-enamide.
What is the SMILES notation for ethene;octadecanoic acid;(Z)-octadec-9-enamide?
The canonical SMILES for ethene;octadecanoic acid;(Z)-octadec-9-enamide is C=C.CCCCCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethene;octadecanoic acid;(Z)-octadec-9-enamide?
The InChIKey is OUIZZJDWVBHHKP-XXAVUKJNSA-N. The full InChI is InChI=1S/C18H35NO.C18H36O2.C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2/h9-10H,2-8,11-17H2,1H3,(H2,19,20);2-17H2,1H3,(H,19,20);1-2H2/b10-9-;;.
What are the key properties of ethene;octadecanoic acid;(Z)-octadec-9-enamide?
ethene;octadecanoic acid;(Z)-octadec-9-enamide has a molecular weight of 594.02 g/mol, XLogP of 12.64, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;octadecanoic acid;(Z)-octadec-9-enamide is sourced from PubChem (CID 174797069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).