ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate

C26H24N2O6 — CID 4013454

IUPACethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OCC)c1
InChIInChI=1S/C26H24N2O6/c1-3-33-25(31)19-12-5-7-14-21(19)27-23(29)17-10-9-11-18(16-17)24(30)28-22-15-8-6-13-20(22)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJMRRTKOTYASKOB-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.54
Rot. Bonds8

About ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate

ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate (PubChem CID 4013454) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
PubChem CID4013454
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Nameethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OCC)c1
InChIInChI=1S/C26H24N2O6/c1-3-33-25(31)19-12-5-7-14-21(19)27-23(29)17-10-9-11-18(16-17)24(30)28-22-15-8-6-13-20(22)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJMRRTKOTYASKOB-UHFFFAOYSA-N
XLogP4.54
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]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-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 4661420
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]-5-nitrobenzoyl]amino]benzoate
CID 3383146
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoate
CID 108792456
butyl 2-[(3-methoxycarbonylbenzoyl)amino]benzoate
CID 108786656
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate (CID 4013454) is ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OCC)c1.
What is the InChIKey of ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate?
The InChIKey is JMRRTKOTYASKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-3-33-25(31)19-12-5-7-14-21(19)27-23(29)17-10-9-11-18(16-17)24(30)28-22-15-8-6-13-20(22)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate?
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate has a molecular weight of 460.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 4013454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).