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

C20H23NO5 — CID 19180961

IUPACethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-20(23)15-10-12-16(13-11-15)21-19(22)9-6-14-26-18-8-5-4-7-17(18)24-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,22)
InChIKeyRXILUJFCIJJAOD-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.67
Rot. Bonds9

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

ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate (PubChem CID 19180961) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
PubChem CID19180961
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Nameethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-20(23)15-10-12-16(13-11-15)21-19(22)9-6-14-26-18-8-5-4-7-17(18)24-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,22)
InChIKeyRXILUJFCIJJAOD-UHFFFAOYSA-N
XLogP3.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(2-ethoxyphenoxy)butanoylamino]benzoate
CID 7901202
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
CID 109039451
pentyl 4-[4-(2-methylphenoxy)butanoylamino]benzoate
CID 19173316
butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180963
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 42082114
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
ethyl 4-(5-hydroxypentanoylamino)benzoate
CID 79199550
ethyl 4-(icosanoylamino)benzoate
CID 4522300
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
The IUPAC name of ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate (CID 19180961) is ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
The canonical SMILES for ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
The InChIKey is RXILUJFCIJJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-25-20(23)15-10-12-16(13-11-15)21-19(22)9-6-14-26-18-8-5-4-7-17(18)24-2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate is sourced from PubChem (CID 19180961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).