ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate

C18H20N2O3 — CID 46859843

IUPACethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cccc(CC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-13-6-5-7-16(12-13)20-18(22)19-15-10-8-14(9-11-15)17(21)23-4-2/h5-12H,3-4H2,1-2H3,(H2,19,20,22)
InChIKeyTYANPJHZAUEZTJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.07
Rot. Bonds5

About ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate

ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate (PubChem CID 46859843) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
PubChem CID46859843
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cccc(CC)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-13-6-5-7-16(12-13)20-18(22)19-15-10-8-14(9-11-15)17(21)23-4-2/h5-12H,3-4H2,1-2H3,(H2,19,20,22)
InChIKeyTYANPJHZAUEZTJ-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(3-cyanophenyl)carbamoylamino]benzoate
CID 46859859
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate (CID 46859843) is ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cccc(CC)c2)cc1.
What is the InChIKey of ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate?
The InChIKey is TYANPJHZAUEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-13-6-5-7-16(12-13)20-18(22)19-15-10-8-14(9-11-15)17(21)23-4-2/h5-12H,3-4H2,1-2H3,(H2,19,20,22).
What are the key properties of ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate?
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 46859843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).