3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide

C11H15NO3 — CID 79030846

IUPAC3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CO)cc1O
InChIInChI=1S/C11H15NO3/c1-7-3-4-9(5-10(7)14)11(15)12-8(2)6-13/h3-5,8,13-14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyBPLJFCCSMTUTQB-MRVPVSSYSA-N
MW209.25 g/mol
LogP0.81
Rot. Bonds3

About 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide

3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide (PubChem CID 79030846) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
PubChem CID79030846
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CO)cc1O
InChIInChI=1S/C11H15NO3/c1-7-3-4-9(5-10(7)14)11(15)12-8(2)6-13/h3-5,8,13-14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyBPLJFCCSMTUTQB-MRVPVSSYSA-N
XLogP0.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 93081126
2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
3-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzamide
CID 103957572
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide (CID 79030846) is 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)CO)cc1O.
What is the InChIKey of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The InChIKey is BPLJFCCSMTUTQB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-3-4-9(5-10(7)14)11(15)12-8(2)6-13/h3-5,8,13-14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1.
What are the key properties of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide has a molecular weight of 209.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 79030846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).