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

C19H22N2O5 — CID 112971489

IUPACethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O5/c1-3-25-18(22)14-8-10-15(11-9-14)21-19(23)20-12-13-26-17-7-5-4-6-16(17)24-2/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyHXAYFNDDJIEBRI-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.07
Rot. Bonds8

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

ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate (PubChem CID 112971489) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
PubChem CID112971489
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nameethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOc2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O5/c1-3-25-18(22)14-8-10-15(11-9-14)21-19(23)20-12-13-26-17-7-5-4-6-16(17)24-2/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyHXAYFNDDJIEBRI-UHFFFAOYSA-N
XLogP3.07
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976938
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
1-(4-bromo-3-methylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971484
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 42082114
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137
ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
CID 109039451

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate (CID 112971489) is ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCCOc2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate?
The InChIKey is HXAYFNDDJIEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-25-18(22)14-8-10-15(11-9-14)21-19(23)20-12-13-26-17-7-5-4-6-16(17)24-2/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate?
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate has a molecular weight of 358.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 112971489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).