N-(4-hydroxyphenyl)-2-methylpropanamide

C10H13NO2 — CID 836551

IUPACN-(4-hydroxyphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3-7,12H,1-2H3,(H,11,13)
InChIKeyBSMSPBFXRDSSPW-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.99
Rot. Bonds2

About N-(4-hydroxyphenyl)-2-methylpropanamide

N-(4-hydroxyphenyl)-2-methylpropanamide (PubChem CID 836551) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-methylpropanamide
PubChem CID836551
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-(4-hydroxyphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3-7,12H,1-2H3,(H,11,13)
InChIKeyBSMSPBFXRDSSPW-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-hydroxyphenyl)-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-methylpropanamide (CID 836551) is N-(4-hydroxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-methylpropanamide?
The InChIKey is BSMSPBFXRDSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)10(13)11-8-3-5-9(12)6-4-8/h3-7,12H,1-2H3,(H,11,13).
What are the key properties of N-(4-hydroxyphenyl)-2-methylpropanamide?
N-(4-hydroxyphenyl)-2-methylpropanamide has a molecular weight of 179.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 836551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).