[2-(acetylcarbamoyl)phenyl] acetate

C11H11NO4 — CID 12538006

IUPAC[2-(acetylcarbamoyl)phenyl] acetate
SMILESCC(=O)NC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C11H11NO4/c1-7(13)12-11(15)9-5-3-4-6-10(9)16-8(2)14/h3-6H,1-2H3,(H,12,13,15)
InChIKeyNYMJRJHIRBFNPY-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.89
Rot. Bonds2

About [2-(acetylcarbamoyl)phenyl] acetate

[2-(acetylcarbamoyl)phenyl] acetate (PubChem CID 12538006) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is [2-(acetylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(acetylcarbamoyl)phenyl] acetate
PubChem CID12538006
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name[2-(acetylcarbamoyl)phenyl] acetate
SMILESCC(=O)NC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C11H11NO4/c1-7(13)12-11(15)9-5-3-4-6-10(9)16-8(2)14/h3-6H,1-2H3,(H,12,13,15)
InChIKeyNYMJRJHIRBFNPY-UHFFFAOYSA-N
XLogP0.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(acetylcarbamoyl)phenyl] acetate 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-(methoxycarbamoyl)phenyl] acetate
CID 59130426
[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]phenyl] acetate
CID 91810847
[2-[(2-chlorophenyl)carbamothioylcarbamoyl]phenyl] acetate
CID 71388857
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
[2-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyl]phenyl] acetate
CID 12922486
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
N-acetyl-2-(2-methylbutan-2-yloxy)benzamide
CID 174864650
2-acetyloxybenzoic acid;ethene
CID 67877309
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
zinc;bis(2-acetyloxybenzoate);dihydrate
CID 139063518
[2-(2-hydroxyacetyl)phenyl] acetate
CID 101117820

Frequently Asked Questions

What is the IUPAC name of [2-(acetylcarbamoyl)phenyl] acetate?
The IUPAC name of [2-(acetylcarbamoyl)phenyl] acetate (CID 12538006) is [2-(acetylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [2-(acetylcarbamoyl)phenyl] acetate?
The canonical SMILES for [2-(acetylcarbamoyl)phenyl] acetate is CC(=O)NC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of [2-(acetylcarbamoyl)phenyl] acetate?
The InChIKey is NYMJRJHIRBFNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7(13)12-11(15)9-5-3-4-6-10(9)16-8(2)14/h3-6H,1-2H3,(H,12,13,15).
What are the key properties of [2-(acetylcarbamoyl)phenyl] acetate?
[2-(acetylcarbamoyl)phenyl] acetate has a molecular weight of 221.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 12538006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).