ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate

C20H20N2O6 — CID 108956352

IUPACethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CC(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C20H20N2O6/c1-3-28-20(26)15-9-4-5-10-16(15)22-18(24)12-17(23)21-14-8-6-7-13(11-14)19(25)27-2/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRLUBQKMMIPCSQQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.62
Rot. Bonds7

About ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate

ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate (PubChem CID 108956352) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate
PubChem CID108956352
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Nameethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CC(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C20H20N2O6/c1-3-28-20(26)15-9-4-5-10-16(15)22-18(24)12-17(23)21-14-8-6-7-13(11-14)19(25)27-2/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRLUBQKMMIPCSQQ-UHFFFAOYSA-N
XLogP2.62
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate 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

ethyl 2-[[2-(3-methoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108987542
ethyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propanoyl]amino]benzoate
CID 108956085
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108955430
ethyl 2-[acetyl-[2-(3-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 113180608
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 4661420
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate (CID 108956352) is ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CC(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate?
The InChIKey is RLUBQKMMIPCSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-3-28-20(26)15-9-4-5-10-16(15)22-18(24)12-17(23)21-14-8-6-7-13(11-14)19(25)27-2/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate?
ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate has a molecular weight of 384.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-methoxycarbonylanilino)-3-oxopropanoyl]amino]benzoate is sourced from PubChem (CID 108956352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).