ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate

C19H20N2O4 — CID 17252370

IUPACethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-18(23)12-17(22)20-15-7-9-16(10-8-15)21-19(24)14-6-4-5-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyJPKNYMDMVHKJNO-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.14
Rot. Bonds6

About ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate

ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate (PubChem CID 17252370) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
PubChem CID17252370
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-18(23)12-17(22)20-15-7-9-16(10-8-15)21-19(24)14-6-4-5-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyJPKNYMDMVHKJNO-UHFFFAOYSA-N
XLogP3.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate 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-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
CID 909687
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
ethyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782235
ethyl 4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 5119710
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17251680
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate (CID 17252370) is ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate?
The InChIKey is JPKNYMDMVHKJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-25-18(23)12-17(22)20-15-7-9-16(10-8-15)21-19(24)14-6-4-5-13(2)11-14/h4-11H,3,12H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate?
ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate has a molecular weight of 340.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate is sourced from PubChem (CID 17252370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).