(Z)-N-(2-hydroxyethylidene)octadec-9-enamide

C20H37NO2 — CID 87087928

IUPAC(Z)-N-(2-hydroxyethylidene)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)/N=C/CO
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,18,22H,2-8,11-17,19H2,1H3/b10-9-,21-18+
InChIKeyPBLOASWFODWSSJ-BNQHWSLYSA-N
MW323.52 g/mol
LogP5.61
Rot. Bonds16

About (Z)-N-(2-hydroxyethylidene)octadec-9-enamide

(Z)-N-(2-hydroxyethylidene)octadec-9-enamide (PubChem CID 87087928) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is (Z)-N-(2-hydroxyethylidene)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(2-hydroxyethylidene)octadec-9-enamide
PubChem CID87087928
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name(Z)-N-(2-hydroxyethylidene)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)/N=C/CO
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,18,22H,2-8,11-17,19H2,1H3/b10-9-,21-18+
InChIKeyPBLOASWFODWSSJ-BNQHWSLYSA-N
XLogP5.61
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-hydroxyethylidene)octadec-9-enamide?
The IUPAC name of (Z)-N-(2-hydroxyethylidene)octadec-9-enamide (CID 87087928) is (Z)-N-(2-hydroxyethylidene)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(2-hydroxyethylidene)octadec-9-enamide?
The canonical SMILES for (Z)-N-(2-hydroxyethylidene)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)/N=C/CO.
What is the InChIKey of (Z)-N-(2-hydroxyethylidene)octadec-9-enamide?
The InChIKey is PBLOASWFODWSSJ-BNQHWSLYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,18,22H,2-8,11-17,19H2,1H3/b10-9-,21-18+.
What are the key properties of (Z)-N-(2-hydroxyethylidene)octadec-9-enamide?
(Z)-N-(2-hydroxyethylidene)octadec-9-enamide has a molecular weight of 323.52 g/mol, XLogP of 5.61, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-hydroxyethylidene)octadec-9-enamide is sourced from PubChem (CID 87087928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).