methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate

C13H16N2O4 — CID 28638135

IUPACmethyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
SMILESCCNC(=O)c1ccc(NC(=O)CC(=O)OC)cc1
InChIInChI=1S/C13H16N2O4/c1-3-14-13(18)9-4-6-10(7-5-9)15-11(16)8-12(17)19-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyYOUIBTCCHBHXEU-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.94
Rot. Bonds5

About methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate

methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate (PubChem CID 28638135) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
PubChem CID28638135
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
SMILESCCNC(=O)c1ccc(NC(=O)CC(=O)OC)cc1
InChIInChI=1S/C13H16N2O4/c1-3-14-13(18)9-4-6-10(7-5-9)15-11(16)8-12(17)19-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyYOUIBTCCHBHXEU-UHFFFAOYSA-N
XLogP0.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[4-(ethylcarbamoyl)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

3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
4-[(2-ethoxyacetyl)amino]-N-ethylbenzamide
CID 60793697
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
4-benzamido-N-ethylbenzamide
CID 17153265
2-[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569378
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate?
The IUPAC name of methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate (CID 28638135) is methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate is CCNC(=O)c1ccc(NC(=O)CC(=O)OC)cc1.
What is the InChIKey of methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate?
The InChIKey is YOUIBTCCHBHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-14-13(18)9-4-6-10(7-5-9)15-11(16)8-12(17)19-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate?
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate has a molecular weight of 264.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate is sourced from PubChem (CID 28638135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).