ethanamine;(Z)-octadec-9-enamide

C20H42N2O — CID 174881781

IUPACethanamine;(Z)-octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CCN
InChIInChI=1S/C18H35NO.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h9-10H,2-8,11-17H2,1H3,(H2,19,20);2-3H2,1H3/b10-9-;
InChIKeyYZOUKCNCXOWLEO-KVVVOXFISA-N
MW326.57 g/mol
LogP5.47
Rot. Bonds15

About ethanamine;(Z)-octadec-9-enamide

ethanamine;(Z)-octadec-9-enamide (PubChem CID 174881781) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is ethanamine;(Z)-octadec-9-enamide.

Molecular Properties

Compound Nameethanamine;(Z)-octadec-9-enamide
PubChem CID174881781
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Nameethanamine;(Z)-octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CCN
InChIInChI=1S/C18H35NO.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h9-10H,2-8,11-17H2,1H3,(H2,19,20);2-3H2,1H3/b10-9-;
InChIKeyYZOUKCNCXOWLEO-KVVVOXFISA-N
XLogP5.47
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 55.47
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 ethanamine;(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

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657
bis((Z)-hexadec-9-enamide);prop-1-ene
CID 158850340

Frequently Asked Questions

What is the IUPAC name of ethanamine;(Z)-octadec-9-enamide?
The IUPAC name of ethanamine;(Z)-octadec-9-enamide (CID 174881781) is ethanamine;(Z)-octadec-9-enamide.
What is the SMILES notation for ethanamine;(Z)-octadec-9-enamide?
The canonical SMILES for ethanamine;(Z)-octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(N)=O.CCN.
What is the InChIKey of ethanamine;(Z)-octadec-9-enamide?
The InChIKey is YZOUKCNCXOWLEO-KVVVOXFISA-N. The full InChI is InChI=1S/C18H35NO.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h9-10H,2-8,11-17H2,1H3,(H2,19,20);2-3H2,1H3/b10-9-;.
What are the key properties of ethanamine;(Z)-octadec-9-enamide?
ethanamine;(Z)-octadec-9-enamide has a molecular weight of 326.57 g/mol, XLogP of 5.47, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;(Z)-octadec-9-enamide is sourced from PubChem (CID 174881781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).