N-methyl-N-octadec-9-enylacetamide

C21H41NO — CID 54210785

IUPACN-methyl-N-octadec-9-enylacetamide
SMILESCCCCCCCCC=CCCCCCCCCN(C)C(C)=O
InChIInChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21(2)23/h11-12H,4-10,13-20H2,1-3H3
InChIKeyPVUGZFSLGLNDCX-UHFFFAOYSA-N
MW323.56 g/mol
LogP6.50
Rot. Bonds16

About N-methyl-N-octadec-9-enylacetamide

N-methyl-N-octadec-9-enylacetamide (PubChem CID 54210785) has the molecular formula C21H41NO and a molecular weight of 323.56 g/mol. Its IUPAC name is N-methyl-N-octadec-9-enylacetamide.

Molecular Properties

Compound NameN-methyl-N-octadec-9-enylacetamide
PubChem CID54210785
Molecular FormulaC21H41NO
Molecular Weight323.56 g/mol
Exact Mass323.32
IUPAC NameN-methyl-N-octadec-9-enylacetamide
SMILESCCCCCCCCC=CCCCCCCCCN(C)C(C)=O
InChIInChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21(2)23/h11-12H,4-10,13-20H2,1-3H3
InChIKeyPVUGZFSLGLNDCX-UHFFFAOYSA-N
XLogP6.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 56.50
H-Bond Donors ≤ 50
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 N-methyl-N-octadec-9-enylacetamide?
The IUPAC name of N-methyl-N-octadec-9-enylacetamide (CID 54210785) is N-methyl-N-octadec-9-enylacetamide.
What is the SMILES notation for N-methyl-N-octadec-9-enylacetamide?
The canonical SMILES for N-methyl-N-octadec-9-enylacetamide is CCCCCCCCC=CCCCCCCCCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-octadec-9-enylacetamide?
The InChIKey is PVUGZFSLGLNDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)21(2)23/h11-12H,4-10,13-20H2,1-3H3.
What are the key properties of N-methyl-N-octadec-9-enylacetamide?
N-methyl-N-octadec-9-enylacetamide has a molecular weight of 323.56 g/mol, XLogP of 6.50, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octadec-9-enylacetamide is sourced from PubChem (CID 54210785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).