N-prop-2-enyloctadecanamide

C21H41NO — CID 10711070

IUPACN-prop-2-enyloctadecanamide
SMILESC=CCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InChIKeyHKKGHYAJDLYYNC-UHFFFAOYSA-N
MW323.56 g/mol
LogP6.55
Rot. Bonds18

About N-prop-2-enyloctadecanamide

N-prop-2-enyloctadecanamide (PubChem CID 10711070) has the molecular formula C21H41NO and a molecular weight of 323.56 g/mol. Its IUPAC name is N-prop-2-enyloctadecanamide.

Molecular Properties

Compound NameN-prop-2-enyloctadecanamide
PubChem CID10711070
Molecular FormulaC21H41NO
Molecular Weight323.56 g/mol
Exact Mass323.32
IUPAC NameN-prop-2-enyloctadecanamide
SMILESC=CCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InChIKeyHKKGHYAJDLYYNC-UHFFFAOYSA-N
XLogP6.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-2-enyloctadecanamide 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-prop-2-enyloctadecanamide?
The IUPAC name of N-prop-2-enyloctadecanamide (CID 10711070) is N-prop-2-enyloctadecanamide.
What is the SMILES notation for N-prop-2-enyloctadecanamide?
The canonical SMILES for N-prop-2-enyloctadecanamide is C=CCNC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-prop-2-enyloctadecanamide?
The InChIKey is HKKGHYAJDLYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23).
What are the key properties of N-prop-2-enyloctadecanamide?
N-prop-2-enyloctadecanamide has a molecular weight of 323.56 g/mol, XLogP of 6.55, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyloctadecanamide is sourced from PubChem (CID 10711070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).