N-(2-hydroxy-2,3-dimethylbutyl)benzamide

C13H19NO2 — CID 111484208

IUPACN-(2-hydroxy-2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)13(3,16)9-14-12(15)11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)
InChIKeyPGMWVAFPQOTTFX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds4

About N-(2-hydroxy-2,3-dimethylbutyl)benzamide

N-(2-hydroxy-2,3-dimethylbutyl)benzamide (PubChem CID 111484208) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)benzamide
PubChem CID111484208
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)13(3,16)9-14-12(15)11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)
InChIKeyPGMWVAFPQOTTFX-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859470
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887
N-[4-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483718
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(prop-2-enoylamino)methyl]benzamide
CID 111486450
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
benzoic acid;2,3-dimethylbutane-1,2-diol
CID 69304808
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
N-(2-hydroxy-2,3-dimethylbutyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111483935
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)benzamide (CID 111484208) is N-(2-hydroxy-2,3-dimethylbutyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)benzamide is CC(C)C(C)(O)CNC(=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
The InChIKey is PGMWVAFPQOTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)13(3,16)9-14-12(15)11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)benzamide?
N-(2-hydroxy-2,3-dimethylbutyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)benzamide is sourced from PubChem (CID 111484208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).