3-hydroxy-N-octylbenzamide

C15H23NO2 — CID 115568584

IUPAC3-hydroxy-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-7-11-16-15(18)13-9-8-10-14(17)12-13/h8-10,12,17H,2-7,11H2,1H3,(H,16,18)
InChIKeyITHAXZPPGAVTAQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.48
Rot. Bonds8

About 3-hydroxy-N-octylbenzamide

3-hydroxy-N-octylbenzamide (PubChem CID 115568584) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-hydroxy-N-octylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-octylbenzamide
PubChem CID115568584
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-hydroxy-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-7-11-16-15(18)13-9-8-10-14(17)12-13/h8-10,12,17H,2-7,11H2,1H3,(H,16,18)
InChIKeyITHAXZPPGAVTAQ-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-dodecylbenzamide
CID 603918
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
3-fluoro-N-octadecylbenzamide
CID 91711883
N-decyl-3-sulfanylbenzamide
CID 107032454
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-methoxy-N-tridecylbenzamide
CID 139819898
3-carbamothioyl-N-octylbenzamide
CID 115568179
N-decyl-4-hydroxybenzamide
CID 15277871
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-ethyl-3-hydroxybenzamide
CID 13175248
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-octylbenzamide?
The IUPAC name of 3-hydroxy-N-octylbenzamide (CID 115568584) is 3-hydroxy-N-octylbenzamide.
What is the SMILES notation for 3-hydroxy-N-octylbenzamide?
The canonical SMILES for 3-hydroxy-N-octylbenzamide is CCCCCCCCNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-octylbenzamide?
The InChIKey is ITHAXZPPGAVTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-11-16-15(18)13-9-8-10-14(17)12-13/h8-10,12,17H,2-7,11H2,1H3,(H,16,18).
What are the key properties of 3-hydroxy-N-octylbenzamide?
3-hydroxy-N-octylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-octylbenzamide is sourced from PubChem (CID 115568584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).