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

C14H21NO2 — CID 115868349

IUPACN-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCCC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10-11(6-5-7-12(10)16)13(17)15-9-8-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyNOKUFEJKTVIYNK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.87
Rot. Bonds3

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

N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide (PubChem CID 115868349) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
PubChem CID115868349
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCCC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-10-11(6-5-7-12(10)16)13(17)15-9-8-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyNOKUFEJKTVIYNK-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
3-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899701
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
2-amino-N-(3,3-dimethylbutyl)pyridine-3-carboxamide
CID 115597344
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide (CID 115868349) is N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is NOKUFEJKTVIYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-11(6-5-7-12(10)16)13(17)15-9-8-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H,15,17).
What are the key properties of N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide?
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 115868349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).