N-(2,2-dimethylbutyl)-2-hydroxybenzamide

C13H19NO2 — CID 103461996

IUPACN-(2,2-dimethylbutyl)-2-hydroxybenzamide
SMILESCCC(C)(C)CNC(=O)c1ccccc1O
InChIInChI=1S/C13H19NO2/c1-4-13(2,3)9-14-12(16)10-7-5-6-8-11(10)15/h5-8,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyARUGAGWSUOIUED-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.56
Rot. Bonds4

About N-(2,2-dimethylbutyl)-2-hydroxybenzamide

N-(2,2-dimethylbutyl)-2-hydroxybenzamide (PubChem CID 103461996) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-hydroxybenzamide
PubChem CID103461996
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2,2-dimethylbutyl)-2-hydroxybenzamide
SMILESCCC(C)(C)CNC(=O)c1ccccc1O
InChIInChI=1S/C13H19NO2/c1-4-13(2,3)9-14-12(16)10-7-5-6-8-11(10)15/h5-8,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyARUGAGWSUOIUED-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylbutyl)-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2-(2,2-dimethylbutylcarbamoyl)benzenesulfonic acid
CID 54199366
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
N-[2,2-dimethyl-3-(2-phenylphenyl)propyl]-2-hydroxybenzamide
CID 118471963
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-hydroxybenzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-hydroxybenzamide (CID 103461996) is N-(2,2-dimethylbutyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-hydroxybenzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-hydroxybenzamide is CCC(C)(C)CNC(=O)c1ccccc1O.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-hydroxybenzamide?
The InChIKey is ARUGAGWSUOIUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-13(2,3)9-14-12(16)10-7-5-6-8-11(10)15/h5-8,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of N-(2,2-dimethylbutyl)-2-hydroxybenzamide?
N-(2,2-dimethylbutyl)-2-hydroxybenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-hydroxybenzamide is sourced from PubChem (CID 103461996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).