4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide

C13H17NO3 — CID 104860755

IUPAC4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
SMILESCc1cc(O)ccc1C(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H17NO3/c1-8(2)12(16)7-14-13(17)11-5-4-10(15)6-9(11)3/h4-6,8,15H,7H2,1-3H3,(H,14,17)
InChIKeyBXWNLBMHHYJGAK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.66
Rot. Bonds4

About 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide

4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 104860755) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID104860755
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
SMILESCc1cc(O)ccc1C(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H17NO3/c1-8(2)12(16)7-14-13(17)11-5-4-10(15)6-9(11)3/h4-6,8,15H,7H2,1-3H3,(H,14,17)
InChIKeyBXWNLBMHHYJGAK-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
4-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107091867
4-hydroxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 103863578
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528791
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide (CID 104860755) is 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide is Cc1cc(O)ccc1C(=O)NCC(=O)C(C)C.
What is the InChIKey of 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is BXWNLBMHHYJGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8(2)12(16)7-14-13(17)11-5-4-10(15)6-9(11)3/h4-6,8,15H,7H2,1-3H3,(H,14,17).
What are the key properties of 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide?
4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 104860755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).