2-hydroxy-N-pentyl-3-propan-2-ylbenzamide

C15H23NO2 — CID 70943726

IUPAC2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
SMILESCCCCCNC(=O)c1cccc(C(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-4-5-6-10-16-15(18)13-9-7-8-12(11(2)3)14(13)17/h7-9,11,17H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyQGYNEFHUOHHILS-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.44
Rot. Bonds6

About 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide

2-hydroxy-N-pentyl-3-propan-2-ylbenzamide (PubChem CID 70943726) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
PubChem CID70943726
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
SMILESCCCCCNC(=O)c1cccc(C(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-4-5-6-10-16-15(18)13-9-7-8-12(11(2)3)14(13)17/h7-9,11,17H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyQGYNEFHUOHHILS-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.44
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

2,3-difluoro-N-pentylbenzamide
CID 62649821
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
2-(pentylcarbamoyl)benzoate
CID 7429981
N-butyl-2-(1-fluoroethyl)benzamide
CID 170393539
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-dodecylnaphthalene-1-carboxamide
CID 4278758
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-hexyl-2-methylbenzamide
CID 3017102
2-chloro-N-undecylbenzamide
CID 3373978

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide (CID 70943726) is 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide is CCCCCNC(=O)c1cccc(C(C)C)c1O.
What is the InChIKey of 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide?
The InChIKey is QGYNEFHUOHHILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-10-16-15(18)13-9-7-8-12(11(2)3)14(13)17/h7-9,11,17H,4-6,10H2,1-3H3,(H,16,18).
What are the key properties of 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide?
2-hydroxy-N-pentyl-3-propan-2-ylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-pentyl-3-propan-2-ylbenzamide is sourced from PubChem (CID 70943726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).