4-formyl-N-octylbenzamide

C16H23NO2 — CID 59691779

IUPAC4-formyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-12-17-16(19)15-10-8-14(13-18)9-11-15/h8-11,13H,2-7,12H2,1H3,(H,17,19)
InChIKeyOZYNLZVZVYZKCL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.59
Rot. Bonds9

About 4-formyl-N-octylbenzamide

4-formyl-N-octylbenzamide (PubChem CID 59691779) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-formyl-N-octylbenzamide.

Molecular Properties

Compound Name4-formyl-N-octylbenzamide
PubChem CID59691779
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-formyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-12-17-16(19)15-10-8-14(13-18)9-11-15/h8-11,13H,2-7,12H2,1H3,(H,17,19)
InChIKeyOZYNLZVZVYZKCL-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-tricosylbenzamide
CID 166066746
N-butyl-4-formylbenzamide
CID 118474745
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
N-decyl-4-sulfanylbenzamide
CID 107032455
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-bromo-N-hexadecylbenzamide
CID 54791037
N-hexyl-4-propylbenzamide
CID 70894310
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-octylbenzamide?
The IUPAC name of 4-formyl-N-octylbenzamide (CID 59691779) is 4-formyl-N-octylbenzamide.
What is the SMILES notation for 4-formyl-N-octylbenzamide?
The canonical SMILES for 4-formyl-N-octylbenzamide is CCCCCCCCNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-octylbenzamide?
The InChIKey is OZYNLZVZVYZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-5-6-7-12-17-16(19)15-10-8-14(13-18)9-11-15/h8-11,13H,2-7,12H2,1H3,(H,17,19).
What are the key properties of 4-formyl-N-octylbenzamide?
4-formyl-N-octylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-octylbenzamide is sourced from PubChem (CID 59691779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).