ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate

C18H20N2O3 — CID 46859841

IUPACethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-4-23-17(21)14-5-7-15(8-6-14)19-18(22)20-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyOVGYFLHQUNGCEE-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.12
Rot. Bonds4

About ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate

ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate (PubChem CID 46859841) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
PubChem CID46859841
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-4-23-17(21)14-5-7-15(8-6-14)19-18(22)20-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3,(H2,19,20,22)
InChIKeyOVGYFLHQUNGCEE-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

Analyze ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]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

4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749602
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[(2,4,6-trifluorophenyl)carbamoylamino]benzoate
CID 59825425
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 4-[[(4-hydroxybenzoyl)amino]carbamoylamino]benzoate
CID 134119432
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
CID 108910149

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate (CID 46859841) is ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate?
The InChIKey is OVGYFLHQUNGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-23-17(21)14-5-7-15(8-6-14)19-18(22)20-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3,(H2,19,20,22).
What are the key properties of ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate?
ethyl 4-[(3,5-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 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 46859841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).