N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide

C12H15NO3 — CID 39334526

IUPACN-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)C)c(O)c1
InChIInChI=1S/C12H15NO3/c1-7(2)12(16)10-5-4-9(6-11(10)15)13-8(3)14/h4-7,15H,1-3H3,(H,13,14)
InChIKeyUWGIPQYYCQBYOD-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.19
Rot. Bonds3

About N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide

N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide (PubChem CID 39334526) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
PubChem CID39334526
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)C)c(O)c1
InChIInChI=1S/C12H15NO3/c1-7(2)12(16)10-5-4-9(6-11(10)15)13-8(3)14/h4-7,15H,1-3H3,(H,13,14)
InChIKeyUWGIPQYYCQBYOD-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
N-[4-(acetamidocarbamoyl)-3-hydroxyphenyl]acetamide
CID 102522207
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
4-(4-acetamido-2-hydroxyphenyl)-4-oxobutanoic acid
CID 14910077
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-[4-(cyclohexanecarbonyl)-3-hydroxyphenyl]acetamide
CID 82044053
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
CID 30850442
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930
N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
CID 67641008
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
CID 52933836
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide?
The IUPAC name of N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide (CID 39334526) is N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide.
What is the SMILES notation for N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide?
The canonical SMILES for N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)C)c(O)c1.
What is the InChIKey of N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide?
The InChIKey is UWGIPQYYCQBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7(2)12(16)10-5-4-9(6-11(10)15)13-8(3)14/h4-7,15H,1-3H3,(H,13,14).
What are the key properties of N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide?
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide is sourced from PubChem (CID 39334526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).