N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide

C14H21NO2 — CID 103462004

IUPACN-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C14H21NO2/c1-5-14(3,4)9-15-13(17)11-7-6-10(2)8-12(11)16/h6-8,16H,5,9H2,1-4H3,(H,15,17)
InChIKeyFBFHKSUCYRIASW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.87
Rot. Bonds4

About N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide

N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide (PubChem CID 103462004) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
PubChem CID103462004
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C14H21NO2/c1-5-14(3,4)9-15-13(17)11-7-6-10(2)8-12(11)16/h6-8,16H,5,9H2,1-4H3,(H,15,17)
InChIKeyFBFHKSUCYRIASW-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
CID 114164499
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide (CID 103462004) is N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide is CCC(C)(C)CNC(=O)c1ccc(C)cc1O.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is FBFHKSUCYRIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(3,4)9-15-13(17)11-7-6-10(2)8-12(11)16/h6-8,16H,5,9H2,1-4H3,(H,15,17).
What are the key properties of N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide?
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.87, 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-hydroxy-4-methylbenzamide is sourced from PubChem (CID 103462004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).