ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate

C21H24N2O4 — CID 109044011

IUPACethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C21H24N2O4/c1-4-27-21(26)17-7-5-6-8-18(17)23-20(25)16-11-9-15(10-12-16)19(24)22-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYYKVQPXSXGKDQJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.50
Rot. Bonds7

About ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate

ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109044011) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109044011
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C21H24N2O4/c1-4-27-21(26)17-7-5-6-8-18(17)23-20(25)16-11-9-15(10-12-16)19(24)22-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYYKVQPXSXGKDQJ-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[4-(2-methylpropylcarbamoyl)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-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109151943
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
ethyl 2,4-dimethyl-5-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 34727036
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
diethyl 5-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436811
ethyl 2-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate (CID 109044011) is ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)NCC(C)C)cc1.
What is the InChIKey of ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is YYKVQPXSXGKDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-27-21(26)17-7-5-6-8-18(17)23-20(25)16-11-9-15(10-12-16)19(24)22-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate?
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109044011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).