[2-(3-acetylanilino)-2-oxoethyl] propanoate

C13H15NO4 — CID 7851353

IUPAC[2-(3-acetylanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C13H15NO4/c1-3-13(17)18-8-12(16)14-11-6-4-5-10(7-11)9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16)
InChIKeyXAHYZNJJVZLVMB-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.78
Rot. Bonds5

About [2-(3-acetylanilino)-2-oxoethyl] propanoate

[2-(3-acetylanilino)-2-oxoethyl] propanoate (PubChem CID 7851353) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] propanoate
PubChem CID7851353
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C13H15NO4/c1-3-13(17)18-8-12(16)14-11-6-4-5-10(7-11)9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16)
InChIKeyXAHYZNJJVZLVMB-UHFFFAOYSA-N
XLogP1.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-acetylanilino)-2-oxoethyl] propanoate 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

N-(3-acetylphenyl)propanamide
CID 903063
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822799
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2524577
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238256
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] propanoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] propanoate (CID 7851353) is [2-(3-acetylanilino)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] propanoate?
The InChIKey is XAHYZNJJVZLVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-13(17)18-8-12(16)14-11-6-4-5-10(7-11)9(2)15/h4-7H,3,8H2,1-2H3,(H,14,16).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] propanoate?
[2-(3-acetylanilino)-2-oxoethyl] propanoate has a molecular weight of 249.27 g/mol, XLogP of 1.78, 5 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] propanoate is sourced from PubChem (CID 7851353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).