N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide

C12H15NO3 — CID 19045459

IUPACN-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cc(CN(C)C(C)=O)ccc1O
InChIInChI=1S/C12H15NO3/c1-8(14)11-6-10(4-5-12(11)16)7-13(3)9(2)15/h4-6,16H,7H2,1-3H3
InChIKeyPZHHDKMBFUSCMS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.57
Rot. Bonds3

About N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide

N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 19045459) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID19045459
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1cc(CN(C)C(C)=O)ccc1O
InChIInChI=1S/C12H15NO3/c1-8(14)11-6-10(4-5-12(11)16)7-13(3)9(2)15/h4-6,16H,7H2,1-3H3
InChIKeyPZHHDKMBFUSCMS-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone
CID 90829801
1-[5-[(4-fluorophenyl)methyl]-2-hydroxyphenyl]ethanone
CID 70901994
1-[5-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxyphenyl]ethanone
CID 22666328
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
1-[2-hydroxy-5-(2-methoxyethoxymethyl)phenyl]ethanone
CID 19045307
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
ethyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoate
CID 54333119

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide (CID 19045459) is N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide is CC(=O)c1cc(CN(C)C(C)=O)ccc1O.
What is the InChIKey of N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is PZHHDKMBFUSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)11-6-10(4-5-12(11)16)7-13(3)9(2)15/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide?
N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetyl-4-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 19045459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).