2,4-dihydroxy-N-(2-methylbutyl)benzamide

C12H17NO3 — CID 107722914

IUPAC2,4-dihydroxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO3/c1-3-8(2)7-13-12(16)10-5-4-9(14)6-11(10)15/h4-6,8,14-15H,3,7H2,1-2H3,(H,13,16)
InChIKeyNTBCEBQJEXFDMD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.87
Rot. Bonds4

About 2,4-dihydroxy-N-(2-methylbutyl)benzamide

2,4-dihydroxy-N-(2-methylbutyl)benzamide (PubChem CID 107722914) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-methylbutyl)benzamide
PubChem CID107722914
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,4-dihydroxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO3/c1-3-8(2)7-13-12(16)10-5-4-9(14)6-11(10)15/h4-6,8,14-15H,3,7H2,1-2H3,(H,13,16)
InChIKeyNTBCEBQJEXFDMD-UHFFFAOYSA-N
XLogP1.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
CID 107726046
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-(2-aminopropyl)-2,4-dihydroxybenzamide
CID 63733125
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
CID 103714393
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-methylbutyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-methylbutyl)benzamide (CID 107722914) is 2,4-dihydroxy-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(2-methylbutyl)benzamide?
The InChIKey is NTBCEBQJEXFDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-8(2)7-13-12(16)10-5-4-9(14)6-11(10)15/h4-6,8,14-15H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 2,4-dihydroxy-N-(2-methylbutyl)benzamide?
2,4-dihydroxy-N-(2-methylbutyl)benzamide has a molecular weight of 223.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 107722914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).