2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

C15H23NO2 — CID 54943331

IUPAC2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccccc1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)10-15(4,5)16-13(18)11-8-6-7-9-12(11)17/h6-9,17H,10H2,1-5H3,(H,16,18)
InChIKeyWHPFIDICUAMTDB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.34
Rot. Bonds3

About 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 54943331) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID54943331
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccccc1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)10-15(4,5)16-13(18)11-8-6-7-9-12(11)17/h6-9,17H,10H2,1-5H3,(H,16,18)
InChIKeyWHPFIDICUAMTDB-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N-tert-butyl-2-hydroxybenzamide
CID 139189948
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
2-propylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17310545
2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
N'-(2,2-dimethylpropyl)-2-hydroxybenzohydrazide
CID 1275966
3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 139405225
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 67786808
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 103955509
2-(2,4,4-trimethylhexan-2-ylcarbamoyl)benzoic acid
CID 171508539

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 54943331) is 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is WHPFIDICUAMTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,3)10-15(4,5)16-13(18)11-8-6-7-9-12(11)17/h6-9,17H,10H2,1-5H3,(H,16,18).
What are the key properties of 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 249.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 54943331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).