ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate

C20H24N2O4 — CID 112971975

IUPACethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOc2cccc(CC)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-15-6-5-7-18(14-15)26-13-12-21-20(24)22-17-10-8-16(9-11-17)19(23)25-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,24)
InChIKeyUNMAOXAWGRUZEJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.63
Rot. Bonds8

About ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate

ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate (PubChem CID 112971975) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
PubChem CID112971975
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOc2cccc(CC)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-3-15-6-5-7-18(14-15)26-13-12-21-20(24)22-17-10-8-16(9-11-17)19(23)25-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,24)
InChIKeyUNMAOXAWGRUZEJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971952
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971994
butyl 4-[3-(3-acetamidophenoxy)propylcarbamoylamino]benzoate
CID 3338314
1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
CID 112971923
ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976938
4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate (CID 112971975) is ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCCOc2cccc(CC)c2)cc1.
What is the InChIKey of ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate?
The InChIKey is UNMAOXAWGRUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-15-6-5-7-18(14-15)26-13-12-21-20(24)22-17-10-8-16(9-11-17)19(23)25-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,24).
What are the key properties of ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate?
ethyl 4-[2-(3-ethylphenoxy)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-(3-ethylphenoxy)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 112971975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).