3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide

C12H17NO3 — CID 82839881

IUPAC3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(C)CCO
InChIInChI=1S/C12H17NO3/c1-8(6-7-14)13-12(16)10-4-3-5-11(15)9(10)2/h3-5,8,14-15H,6-7H2,1-2H3,(H,13,16)
InChIKeyUFQLRSHIARXZIH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.20
Rot. Bonds4

About 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide

3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide (PubChem CID 82839881) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
PubChem CID82839881
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC(C)CCO
InChIInChI=1S/C12H17NO3/c1-8(6-7-14)13-12(16)10-4-3-5-11(15)9(10)2/h3-5,8,14-15H,6-7H2,1-2H3,(H,13,16)
InChIKeyUFQLRSHIARXZIH-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]pentanedioic acid
CID 82827108
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
2-amino-N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 83177577

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide (CID 82839881) is 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide is Cc1c(O)cccc1C(=O)NC(C)CCO.
What is the InChIKey of 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
The InChIKey is UFQLRSHIARXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(6-7-14)13-12(16)10-4-3-5-11(15)9(10)2/h3-5,8,14-15H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide?
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 82839881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).