[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate

C20H23NO5 — CID 7211928

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-13-25-18-9-5-15(6-10-18)20(23)26-14-19(22)21-16-7-11-17(12-8-16)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyIHNSEAIAYNQRDN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.67
Rot. Bonds9

About [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate

[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate (PubChem CID 7211928) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
PubChem CID7211928
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-13-25-18-9-5-15(6-10-18)20(23)26-14-19(22)21-16-7-11-17(12-8-16)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyIHNSEAIAYNQRDN-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

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-propoxybenzoate
CID 18074969
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-propoxybenzoate
CID 7211967
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate (CID 7211928) is [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is IHNSEAIAYNQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-13-25-18-9-5-15(6-10-18)20(23)26-14-19(22)21-16-7-11-17(12-8-16)24-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate?
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate 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 [2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 7211928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).