3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide

C13H19NO2 — CID 82786626

IUPAC3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1c(O)cccc1C(=O)NC(C)C(C)C
InChIInChI=1S/C13H19NO2/c1-8(2)10(4)14-13(16)11-6-5-7-12(15)9(11)3/h5-8,10,15H,1-4H3,(H,14,16)
InChIKeyNREPJDFCPQYTPG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds3

About 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide

3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 82786626) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID82786626
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1c(O)cccc1C(=O)NC(C)C(C)C
InChIInChI=1S/C13H19NO2/c1-8(2)10(4)14-13(16)11-6-5-7-12(15)9(11)3/h5-8,10,15H,1-4H3,(H,14,16)
InChIKeyNREPJDFCPQYTPG-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-hydroxy-2-methylbenzamide
CID 114178025
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 46930259

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide (CID 82786626) is 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide is Cc1c(O)cccc1C(=O)NC(C)C(C)C.
What is the InChIKey of 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is NREPJDFCPQYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)10(4)14-13(16)11-6-5-7-12(15)9(11)3/h5-8,10,15H,1-4H3,(H,14,16).
What are the key properties of 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide?
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 82786626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).