3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide

C11H15NO4 — CID 79732831

IUPAC3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CO)cc1O
InChIInChI=1S/C11H15NO4/c1-7(6-13)12-11(15)8-3-4-10(16-2)9(14)5-8/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)
InChIKeyIAVPLUBZEPMWOK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.51
Rot. Bonds4

About 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide

3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide (PubChem CID 79732831) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
PubChem CID79732831
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)CO)cc1O
InChIInChI=1S/C11H15NO4/c1-7(6-13)12-11(15)8-3-4-10(16-2)9(14)5-8/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)
InChIKeyIAVPLUBZEPMWOK-UHFFFAOYSA-N
XLogP0.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-(1-cyclopentylethyl)-3-hydroxy-4-methoxybenzamide
CID 79672563
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 115674461
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide (CID 79732831) is 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)CO)cc1O.
What is the InChIKey of 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide?
The InChIKey is IAVPLUBZEPMWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(6-13)12-11(15)8-3-4-10(16-2)9(14)5-8/h3-5,7,13-14H,6H2,1-2H3,(H,12,15).
What are the key properties of 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide?
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide has a molecular weight of 225.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 79732831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).