ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate

C20H24N2O4 — CID 3740892

IUPACethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-25-18-11-5-15(6-12-18)13-14-21-20(24)22-17-9-7-16(8-10-17)19(23)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyOZNSVXPEOMSWQH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.63
Rot. Bonds8

About ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate

ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate (PubChem CID 3740892) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
PubChem CID3740892
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-25-18-11-5-15(6-12-18)13-14-21-20(24)22-17-9-7-16(8-10-17)19(23)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyOZNSVXPEOMSWQH-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
ethyl 4-[2-(4-hydroxyphenyl)ethylcarbamothioylamino]benzoate
CID 5100740
ethyl 4-[[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948861
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
ethyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948485
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-ethoxyphenyl)urea
CID 113217501
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
N-(4-ethoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 47984901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate (CID 3740892) is ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCCc2ccc(OCC)cc2)cc1.
What is the InChIKey of ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
The InChIKey is OZNSVXPEOMSWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-25-18-11-5-15(6-12-18)13-14-21-20(24)22-17-9-7-16(8-10-17)19(23)26-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24).
What are the key properties of ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate?
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 3740892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).