[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate

C19H19NO4 — CID 71822799

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C19H19NO4/c1-13-5-3-6-15(9-13)10-19(23)24-12-18(22)20-17-8-4-7-16(11-17)14(2)21/h3-9,11H,10,12H2,1-2H3,(H,20,22)
InChIKeyDLYBECFTLZPPHV-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.92
Rot. Bonds6

About [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate

[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate (PubChem CID 71822799) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
PubChem CID71822799
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C19H19NO4/c1-13-5-3-6-15(9-13)10-19(23)24-12-18(22)20-17-8-4-7-16(11-17)14(2)21/h3-9,11H,10,12H2,1-2H3,(H,20,22)
InChIKeyDLYBECFTLZPPHV-UHFFFAOYSA-N
XLogP2.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)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-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822771
[2-(3-acetylanilino)-2-oxoethyl] propanoate
CID 7851353
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
CID 71822824
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2336326
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847291
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate (CID 71822799) is [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate is CC(=O)c1cccc(NC(=O)COC(=O)Cc2cccc(C)c2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The InChIKey is DLYBECFTLZPPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-5-3-6-15(9-13)10-19(23)24-12-18(22)20-17-8-4-7-16(11-17)14(2)21/h3-9,11H,10,12H2,1-2H3,(H,20,22).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate has a molecular weight of 325.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate is sourced from PubChem (CID 71822799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).