(Z)-N-ethylideneoctadec-9-enamide

C20H37NO — CID 174343608

IUPAC(Z)-N-ethylideneoctadec-9-enamide
SMILESC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C20H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4,11-12H,3,5-10,13-19H2,1-2H3/b12-11-,21-4+
InChIKeyIZYAHBZNSZUPJN-NICDPIFHSA-N
MW307.52 g/mol
LogP6.64
Rot. Bonds15

About (Z)-N-ethylideneoctadec-9-enamide

(Z)-N-ethylideneoctadec-9-enamide (PubChem CID 174343608) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (Z)-N-ethylideneoctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-ethylideneoctadec-9-enamide
PubChem CID174343608
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(Z)-N-ethylideneoctadec-9-enamide
SMILESC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C20H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4,11-12H,3,5-10,13-19H2,1-2H3/b12-11-,21-4+
InChIKeyIZYAHBZNSZUPJN-NICDPIFHSA-N
XLogP6.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
(Z)-N-sulfanylideneoctadec-9-enamide
CID 174916160
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
octadec-9-enamide
CID 75990485
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
indigane;(Z)-octadec-9-enamide
CID 174921402
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
(Z)-octadec-9-enamide;platinum
CID 174872668
(E)-triacont-15-ene-8,23-dione
CID 11849500

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylideneoctadec-9-enamide?
The IUPAC name of (Z)-N-ethylideneoctadec-9-enamide (CID 174343608) is (Z)-N-ethylideneoctadec-9-enamide.
What is the SMILES notation for (Z)-N-ethylideneoctadec-9-enamide?
The canonical SMILES for (Z)-N-ethylideneoctadec-9-enamide is C/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-ethylideneoctadec-9-enamide?
The InChIKey is IZYAHBZNSZUPJN-NICDPIFHSA-N. The full InChI is InChI=1S/C20H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4,11-12H,3,5-10,13-19H2,1-2H3/b12-11-,21-4+.
What are the key properties of (Z)-N-ethylideneoctadec-9-enamide?
(Z)-N-ethylideneoctadec-9-enamide has a molecular weight of 307.52 g/mol, XLogP of 6.64, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylideneoctadec-9-enamide is sourced from PubChem (CID 174343608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).