N-benzyl-3-hydroxyoctanamide

C15H23NO2 — CID 14875643

IUPACN-benzyl-3-hydroxyoctanamide
SMILESCCCCCC(O)CC(=O)NCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-5-10-14(17)11-15(18)16-12-13-8-6-4-7-9-13/h4,6-9,14,17H,2-3,5,10-12H2,1H3,(H,16,18)
InChIKeyKYOAYAPOXHDSPO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.63
Rot. Bonds8

About N-benzyl-3-hydroxyoctanamide

N-benzyl-3-hydroxyoctanamide (PubChem CID 14875643) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-benzyl-3-hydroxyoctanamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxyoctanamide
PubChem CID14875643
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-benzyl-3-hydroxyoctanamide
SMILESCCCCCC(O)CC(=O)NCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-5-10-14(17)11-15(18)16-12-13-8-6-4-7-9-13/h4,6-9,14,17H,2-3,5,10-12H2,1H3,(H,16,18)
InChIKeyKYOAYAPOXHDSPO-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

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CID 3480882
3-(2,2-Dimethyl-propionylamino)-3-phenyl-propionic acid
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CID 18471332
3-(2-Methylpropanoylamino)-3-phenylpropanoic acid
CID 4245294
(Z,12R)-12-hydroxy-N-[(1S)-1-phenylethyl]octadec-9-enamide
CID 49864759
N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
CID 55157876
N-benzyloctanamide
CID 245677
Mls003171156
CID 338072
12-Octadecenamide, 9-oxo-N-(phenylmethyl)-, (12Z)-
CID 21579710
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CID 38030102
N-(2-hydroxycyclooctyl)benzamide
CID 273896
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CID 2837669

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxyoctanamide?
The IUPAC name of N-benzyl-3-hydroxyoctanamide (CID 14875643) is N-benzyl-3-hydroxyoctanamide.
What is the SMILES notation for N-benzyl-3-hydroxyoctanamide?
The canonical SMILES for N-benzyl-3-hydroxyoctanamide is CCCCCC(O)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-hydroxyoctanamide?
The InChIKey is KYOAYAPOXHDSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-5-10-14(17)11-15(18)16-12-13-8-6-4-7-9-13/h4,6-9,14,17H,2-3,5,10-12H2,1H3,(H,16,18).
What are the key properties of N-benzyl-3-hydroxyoctanamide?
N-benzyl-3-hydroxyoctanamide has a molecular weight of 249.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxyoctanamide is sourced from PubChem (CID 14875643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).