N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide

C13H18N2O3 — CID 113233078

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H18N2O3/c1-7(2)11(12(14)17)15-13(18)9-6-8(3)4-5-10(9)16/h4-7,11,16H,1-3H3,(H2,14,17)(H,15,18)
InChIKeyBZFSWCOORQGILG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.94
Rot. Bonds4

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide (PubChem CID 113233078) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
PubChem CID113233078
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H18N2O3/c1-7(2)11(12(14)17)15-13(18)9-6-8(3)4-5-10(9)16/h4-7,11,16H,1-3H3,(H2,14,17)(H,15,18)
InChIKeyBZFSWCOORQGILG-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate
CID 43386291
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2,3-dihydroxybenzamide
CID 103187229
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
methyl 2-[(2-bromo-5-methylbenzoyl)amino]-3-methylbutanoate
CID 80979700
2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351023

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide (CID 113233078) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NC(C(N)=O)C(C)C)c1.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide?
The InChIKey is BZFSWCOORQGILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-7(2)11(12(14)17)15-13(18)9-6-8(3)4-5-10(9)16/h4-7,11,16H,1-3H3,(H2,14,17)(H,15,18).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 113233078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).