ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate

C18H20N2O3 — CID 108991348

IUPACethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20N2O3/c1-4-23-17(21)14-7-5-6-8-15(14)19-18(22)20-16-11-12(2)9-10-13(16)3/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyJSCVNPUXQGLUGM-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.12
Rot. Bonds4

About ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate

ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate (PubChem CID 108991348) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
PubChem CID108991348
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20N2O3/c1-4-23-17(21)14-7-5-6-8-15(14)19-18(22)20-16-11-12(2)9-10-13(16)3/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyJSCVNPUXQGLUGM-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108501953
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
CID 108991922
ethyl 2-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266672
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
ethyl 2-[2-(2,4,6-trimethylphenoxy)ethylcarbamoylamino]benzoate
CID 112974677
ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109219823
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797
ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate
CID 17490390
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate (CID 108991348) is ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate?
The InChIKey is JSCVNPUXQGLUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-23-17(21)14-7-5-6-8-15(14)19-18(22)20-16-11-12(2)9-10-13(16)3/h5-11H,4H2,1-3H3,(H2,19,20,22).
What are the key properties of ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate?
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108991348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).