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

C12H17NO3 — CID 103958340

IUPAC4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-3-10(7-14)13-12(16)9-4-5-11(15)8(2)6-9/h4-6,10,14-15H,3,7H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyFMCRQHLJGWXSFH-SNVBAGLBSA-N
MW223.27 g/mol
LogP1.20
Rot. Bonds4

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

4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide (PubChem CID 103958340) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
PubChem CID103958340
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-3-10(7-14)13-12(16)9-4-5-11(15)8(2)6-9/h4-6,10,14-15H,3,7H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyFMCRQHLJGWXSFH-SNVBAGLBSA-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

4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-(1-hydroxybutan-2-yl)-4-methyl-3-nitrobenzamide
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2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107675964
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide (CID 103958340) is 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide is CC[C@H](CO)NC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide?
The InChIKey is FMCRQHLJGWXSFH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-10(7-14)13-12(16)9-4-5-11(15)8(2)6-9/h4-6,10,14-15H,3,7H2,1-2H3,(H,13,16)/t10-/m1/s1.
What are the key properties of 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide?
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-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 4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 103958340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).