2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide

C12H14N2O4 — CID 112781556

IUPAC2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C12H14N2O4/c1-8(15)9-5-3-4-6-10(9)18-7-11(16)14-12(17)13-2/h3-6H,7H2,1-2H3,(H2,13,14,16,17)
InChIKeyXTGMIFBYACTAPJ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide

2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide (PubChem CID 112781556) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
PubChem CID112781556
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccccc1C(C)=O
InChIInChI=1S/C12H14N2O4/c1-8(15)9-5-3-4-6-10(9)18-7-11(16)14-12(17)13-2/h3-6H,7H2,1-2H3,(H2,13,14,16,17)
InChIKeyXTGMIFBYACTAPJ-UHFFFAOYSA-N
XLogP0.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
CID 7859274
2-(2-acetylphenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 112781528
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
2-(2-acetylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7859193

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide (CID 112781556) is 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)COc1ccccc1C(C)=O.
What is the InChIKey of 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide?
The InChIKey is XTGMIFBYACTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-8(15)9-5-3-4-6-10(9)18-7-11(16)14-12(17)13-2/h3-6H,7H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide?
2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide has a molecular weight of 250.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 112781556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).