2-amino-N-octadec-9-enylacetamide

C20H40N2O — CID 54451459

IUPAC2-amino-N-octadec-9-enylacetamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)CN
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(23)19-21/h9-10H,2-8,11-19,21H2,1H3,(H,22,23)
InChIKeyWVGWQJDHWONZTK-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.10
Rot. Bonds17

About 2-amino-N-octadec-9-enylacetamide

2-amino-N-octadec-9-enylacetamide (PubChem CID 54451459) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 2-amino-N-octadec-9-enylacetamide.

Molecular Properties

Compound Name2-amino-N-octadec-9-enylacetamide
PubChem CID54451459
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name2-amino-N-octadec-9-enylacetamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)CN
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(23)19-21/h9-10H,2-8,11-19,21H2,1H3,(H,22,23)
InChIKeyWVGWQJDHWONZTK-UHFFFAOYSA-N
XLogP5.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl arachidonoyl amine
CID 5283394
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-
CID 66966
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
Ethylene dioleamide
CID 6436065
N-ethyl arachidonoyl amine
CID 5283391
N-butyl arachidonoyl amine
CID 5283396
N'-arachidonoyl-N''-diethylethylenediamine
CID 5283407
N-(4-Aminobutyl)oleamide
CID 86745897
9-Octadecenamide, N-(3-aminopropyl)-, (9Z)-
CID 6436067
Oleoyl ethylamide
CID 44270319
Acetamide, N-oleyl-
CID 5961270
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-octadec-9-enylacetamide?
The IUPAC name of 2-amino-N-octadec-9-enylacetamide (CID 54451459) is 2-amino-N-octadec-9-enylacetamide.
What is the SMILES notation for 2-amino-N-octadec-9-enylacetamide?
The canonical SMILES for 2-amino-N-octadec-9-enylacetamide is CCCCCCCCC=CCCCCCCCCNC(=O)CN.
What is the InChIKey of 2-amino-N-octadec-9-enylacetamide?
The InChIKey is WVGWQJDHWONZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(23)19-21/h9-10H,2-8,11-19,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-N-octadec-9-enylacetamide?
2-amino-N-octadec-9-enylacetamide has a molecular weight of 324.55 g/mol, XLogP of 5.10, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-octadec-9-enylacetamide is sourced from PubChem (CID 54451459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).