2-prop-2-enyloctadecanamide

C21H41NO — CID 86220574

IUPAC2-prop-2-enyloctadecanamide
SMILESC=CCC(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h4,20H,2-3,5-19H2,1H3,(H2,22,23)
InChIKeySGUROBDKIKOEPR-UHFFFAOYSA-N
MW323.57 g/mol
LogP6.54
Rot. Bonds18

About 2-prop-2-enyloctadecanamide

2-prop-2-enyloctadecanamide (PubChem CID 86220574) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 2-prop-2-enyloctadecanamide.

Molecular Properties

Compound Name2-prop-2-enyloctadecanamide
PubChem CID86220574
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name2-prop-2-enyloctadecanamide
SMILESC=CCC(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h4,20H,2-3,5-19H2,1H3,(H2,22,23)
InChIKeySGUROBDKIKOEPR-UHFFFAOYSA-N
XLogP6.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyloctadecanamide?
The IUPAC name of 2-prop-2-enyloctadecanamide (CID 86220574) is 2-prop-2-enyloctadecanamide.
What is the SMILES notation for 2-prop-2-enyloctadecanamide?
The canonical SMILES for 2-prop-2-enyloctadecanamide is C=CCC(CCCCCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 2-prop-2-enyloctadecanamide?
The InChIKey is SGUROBDKIKOEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h4,20H,2-3,5-19H2,1H3,(H2,22,23).
What are the key properties of 2-prop-2-enyloctadecanamide?
2-prop-2-enyloctadecanamide has a molecular weight of 323.57 g/mol, XLogP of 6.54, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloctadecanamide is sourced from PubChem (CID 86220574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).