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

C10H13NO2 — CID 61150384

IUPACN-[(3-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C10H13NO2/c1-8(12)11(2)7-9-4-3-5-10(13)6-9/h3-6,13H,7H2,1-2H3
InChIKeyQLYMUOJNBOWMLM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.37
Rot. Bonds2

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

N-[(3-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 61150384) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID61150384
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C10H13NO2/c1-8(12)11(2)7-9-4-3-5-10(13)6-9/h3-6,13H,7H2,1-2H3
InChIKeyQLYMUOJNBOWMLM-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
N-[(3-hydroxyphenyl)methyl]-N-[(4-hydroxyphenyl)methyl]acetamide
CID 22070464
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methylacetamide (CID 61150384) is N-[(3-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is QLYMUOJNBOWMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)11(2)7-9-4-3-5-10(13)6-9/h3-6,13H,7H2,1-2H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methylacetamide?
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 179.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 61150384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).