[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

C23H21NO5 — CID 7133676

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-2-28-21-13-9-19(10-14-21)24-22(26)15-29-23(27)18-5-3-16(4-6-18)17-7-11-20(25)12-8-17/h3-14,25H,2,15H2,1H3,(H,24,26)
InChIKeyYBUPNVRSJYKNTJ-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.25
Rot. Bonds7

About [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 7133676) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID7133676
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-2-28-21-13-9-19(10-14-21)24-22(26)15-29-23(27)18-5-3-16(4-6-18)17-7-11-20(25)12-8-17/h3-14,25H,2,15H2,1H3,(H,24,26)
InChIKeyYBUPNVRSJYKNTJ-UHFFFAOYSA-N
XLogP4.25
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133669
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2602039
[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
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680166
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 7133676) is [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is CCOc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is YBUPNVRSJYKNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-2-28-21-13-9-19(10-14-21)24-22(26)15-29-23(27)18-5-3-16(4-6-18)17-7-11-20(25)12-8-17/h3-14,25H,2,15H2,1H3,(H,24,26).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 391.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7133676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).