2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

C12H17NO3 — CID 115869468

IUPAC2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(8-14)13(2)12(16)7-10-3-5-11(15)6-4-10/h3-6,9,14-15H,7-8H2,1-2H3
InChIKeyAAUUEROXYLUXHA-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.77
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (PubChem CID 115869468) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
PubChem CID115869468
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(8-14)13(2)12(16)7-10-3-5-11(15)6-4-10/h3-6,9,14-15H,7-8H2,1-2H3
InChIKeyAAUUEROXYLUXHA-UHFFFAOYSA-N
XLogP0.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide 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

2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-(2,3-dihydro-1H-inden-5-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112548127
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-methylacetamide
CID 60681963
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide
CID 78854085
2-[ethyl-[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
CID 136552804
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (CID 115869468) is 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is CC(CO)N(C)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The InChIKey is AAUUEROXYLUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(8-14)13(2)12(16)7-10-3-5-11(15)6-4-10/h3-6,9,14-15H,7-8H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide has a molecular weight of 223.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 115869468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).