4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide

C12H17NO3 — CID 103957694

IUPAC4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)CO)ccc1O
InChIInChI=1S/C12H17NO3/c1-8-6-9(4-5-10(8)15)11(16)13-12(2,3)7-14/h4-6,14-15H,7H2,1-3H3,(H,13,16)
InChIKeyKCALRLRBEAIDLJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.20
Rot. Bonds3

About 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide

4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide (PubChem CID 103957694) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
PubChem CID103957694
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(C)CO)ccc1O
InChIInChI=1S/C12H17NO3/c1-8-6-9(4-5-10(8)15)11(16)13-12(2,3)7-14/h4-6,14-15H,7H2,1-3H3,(H,13,16)
InChIKeyKCALRLRBEAIDLJ-UHFFFAOYSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 103955509
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304
N-(2-cyanopropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 103957007
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944768
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107672234
3-benzamido-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzamide
CID 75392218
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
N-(4-amino-2-methylbutan-2-yl)-3,4-dihydroxybenzamide
CID 107727561

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide?
The IUPAC name of 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide (CID 103957694) is 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide is Cc1cc(C(=O)NC(C)(C)CO)ccc1O.
What is the InChIKey of 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide?
The InChIKey is KCALRLRBEAIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-9(4-5-10(8)15)11(16)13-12(2,3)7-14/h4-6,14-15H,7H2,1-3H3,(H,13,16).
What are the key properties of 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide?
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 103957694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).