N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide

C38H73NO3 — CID 175464462

IUPACN-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39(35-36-40)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,40H,3-16,18,20-36H2,1-2H3/b19-17-
InChIKeyMVLXIACNZFHOJJ-ZPHPHTNESA-N
MW592.01 g/mol
LogP11.63
Rot. Bonds33

About N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide

N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide (PubChem CID 175464462) has the molecular formula C38H73NO3 and a molecular weight of 592.01 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide
PubChem CID175464462
Molecular FormulaC38H73NO3
Molecular Weight592.01 g/mol
Exact Mass591.56
IUPAC NameN-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)C(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39(35-36-40)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,40H,3-16,18,20-36H2,1-2H3/b19-17-
InChIKeyMVLXIACNZFHOJJ-ZPHPHTNESA-N
XLogP11.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.01
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide (CID 175464462) is N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)C(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide?
The InChIKey is MVLXIACNZFHOJJ-ZPHPHTNESA-N. The full InChI is InChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39(35-36-40)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,40H,3-16,18,20-36H2,1-2H3/b19-17-.
What are the key properties of N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide?
N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide has a molecular weight of 592.01 g/mol, XLogP of 11.63, 33 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(Z)-octadec-9-enoyl]octadecanamide is sourced from PubChem (CID 175464462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).