2-propylpentadec-12-enamide

C18H35NO — CID 140789698

IUPAC2-propylpentadec-12-enamide
SMILESCCC=CCCCCCCCCCC(CCC)C(N)=O
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(15-4-2)18(19)20/h5-6,17H,3-4,7-16H2,1-2H3,(H2,19,20)
InChIKeyYSFDJGBBNKBLKN-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.37
Rot. Bonds14

About 2-propylpentadec-12-enamide

2-propylpentadec-12-enamide (PubChem CID 140789698) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-propylpentadec-12-enamide.

Molecular Properties

Compound Name2-propylpentadec-12-enamide
PubChem CID140789698
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-propylpentadec-12-enamide
SMILESCCC=CCCCCCCCCCC(CCC)C(N)=O
InChIInChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(15-4-2)18(19)20/h5-6,17H,3-4,7-16H2,1-2H3,(H2,19,20)
InChIKeyYSFDJGBBNKBLKN-UHFFFAOYSA-N
XLogP5.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.37
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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Related Compounds

2-hexadecylicos-11-enamide
CID 173011844
2-propylhexacosa-16,18,20-trienamide
CID 173137662
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-ethyloctadec-9-enamide
CID 160810733
2-ethyldocos-13-enamide
CID 173006662
dimethylsilyl 2-propyldec-7-enoate
CID 151592091
2-triacont-19-enylbutanediamide
CID 155758594
2-propylhexadecanediamide
CID 142717306
ethyl (9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoate
CID 59187765
2-(3-trimethoxysilylpropyl)octadec-9-enamide
CID 173031259

Frequently Asked Questions

What is the IUPAC name of 2-propylpentadec-12-enamide?
The IUPAC name of 2-propylpentadec-12-enamide (CID 140789698) is 2-propylpentadec-12-enamide.
What is the SMILES notation for 2-propylpentadec-12-enamide?
The canonical SMILES for 2-propylpentadec-12-enamide is CCC=CCCCCCCCCCC(CCC)C(N)=O.
What is the InChIKey of 2-propylpentadec-12-enamide?
The InChIKey is YSFDJGBBNKBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-17(15-4-2)18(19)20/h5-6,17H,3-4,7-16H2,1-2H3,(H2,19,20).
What are the key properties of 2-propylpentadec-12-enamide?
2-propylpentadec-12-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.37, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentadec-12-enamide is sourced from PubChem (CID 140789698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).