N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide

C13H18N2O3 — CID 104579469

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)CC(N)=O)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-8-4-5-9(10(16)6-8)12(18)15-13(2,3)7-11(14)17/h4-6,16H,7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyPHMNHQMKVGKYAY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide (PubChem CID 104579469) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
PubChem CID104579469
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)CC(N)=O)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-8-4-5-9(10(16)6-8)12(18)15-13(2,3)7-11(14)17/h4-6,16H,7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyPHMNHQMKVGKYAY-UHFFFAOYSA-N
XLogP1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(3-aminoprop-1-ynyl)-4-methylbenzamide
CID 106098227
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103933318
2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82723944
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydroxybenzamide
CID 106095382
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide (CID 104579469) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(C)CC(N)=O)c(O)c1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide?
The InChIKey is PHMNHQMKVGKYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-4-5-9(10(16)6-8)12(18)15-13(2,3)7-11(14)17/h4-6,16H,7H2,1-3H3,(H2,14,17)(H,15,18).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 104579469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).