2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide

C14H21NO2 — CID 43430193

IUPAC2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1cccc(C)c1O
InChIInChI=1S/C14H21NO2/c1-5-7-11(3)15(4)14(17)12-9-6-8-10(2)13(12)16/h6,8-9,11,16H,5,7H2,1-4H3
InChIKeyIGPAFLJDQXIVAD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.96
Rot. Bonds4

About 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide

2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide (PubChem CID 43430193) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
PubChem CID43430193
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1cccc(C)c1O
InChIInChI=1S/C14H21NO2/c1-5-7-11(3)15(4)14(17)12-9-6-8-10(2)13(12)16/h6,8-9,11,16H,5,7H2,1-4H3
InChIKeyIGPAFLJDQXIVAD-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 80718791
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
CID 62821574
4-chloro-1-hydroxy-N-methyl-N-pentan-2-ylnaphthalene-2-carboxamide
CID 167881563

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide (CID 43430193) is 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide is CCCC(C)N(C)C(=O)c1cccc(C)c1O.
What is the InChIKey of 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide?
The InChIKey is IGPAFLJDQXIVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-7-11(3)15(4)14(17)12-9-6-8-10(2)13(12)16/h6,8-9,11,16H,5,7H2,1-4H3.
What are the key properties of 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide?
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 43430193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).