N-octadec-9-enylbenzamide

C25H41NO — CID 54554566

IUPACN-octadec-9-enylbenzamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)c1ccccc1
InChIInChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(27)24-21-18-17-19-22-24/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3,(H,26,27)
InChIKeyZMGJTLKSBVFOGP-UHFFFAOYSA-N
MW371.61 g/mol
LogP7.45
Rot. Bonds17

About N-octadec-9-enylbenzamide

N-octadec-9-enylbenzamide (PubChem CID 54554566) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is N-octadec-9-enylbenzamide.

Molecular Properties

Compound NameN-octadec-9-enylbenzamide
PubChem CID54554566
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC NameN-octadec-9-enylbenzamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)c1ccccc1
InChIInChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(27)24-21-18-17-19-22-24/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3,(H,26,27)
InChIKeyZMGJTLKSBVFOGP-UHFFFAOYSA-N
XLogP7.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 57.45
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

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CID 71501503
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N-[(E)-hept-1-enyl]benzamide
CID 6917534
N-[3-oxo-3-(pentylamino)propyl]benzamide
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CID 131885807
CID 131885807
N-[4-(butylamino)-4-oxobutyl]benzamide
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1H-azepine;N-pentylbenzamide
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4-[[4-[(E)-dec-1-enyl]benzoyl]amino]butanoic acid
CID 70541790
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CID 111094065
2-benzamidoethyl-dimethyl-octylazanium
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Frequently Asked Questions

What is the IUPAC name of N-octadec-9-enylbenzamide?
The IUPAC name of N-octadec-9-enylbenzamide (CID 54554566) is N-octadec-9-enylbenzamide.
What is the SMILES notation for N-octadec-9-enylbenzamide?
The canonical SMILES for N-octadec-9-enylbenzamide is CCCCCCCCC=CCCCCCCCCNC(=O)c1ccccc1.
What is the InChIKey of N-octadec-9-enylbenzamide?
The InChIKey is ZMGJTLKSBVFOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(27)24-21-18-17-19-22-24/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3,(H,26,27).
What are the key properties of N-octadec-9-enylbenzamide?
N-octadec-9-enylbenzamide has a molecular weight of 371.61 g/mol, XLogP of 7.45, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-9-enylbenzamide is sourced from PubChem (CID 54554566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).