[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate

C23H18N2O4 — CID 7717087

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H18N2O4/c24-14-17-6-8-19(9-7-17)23(27)29-16-22(26)25-20-10-12-21(13-11-20)28-15-18-4-2-1-3-5-18/h1-13H,15-16H2,(H,25,26)
InChIKeyRIXYPXATPXHHQJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.93
Rot. Bonds7

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate (PubChem CID 7717087) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
PubChem CID7717087
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
SMILESN#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H18N2O4/c24-14-17-6-8-19(9-7-17)23(27)29-16-22(26)25-20-10-12-21(13-11-20)28-15-18-4-2-1-3-5-18/h1-13H,15-16H2,(H,25,26)
InChIKeyRIXYPXATPXHHQJ-UHFFFAOYSA-N
XLogP3.93
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(4-cyanoanilino)-2-oxoethyl] benzoate
CID 2517291
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-(4-cyanoanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548822
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
[2-(4-iodoanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592615
[2-(4-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592589
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate (CID 7717087) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate is N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate?
The InChIKey is RIXYPXATPXHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c24-14-17-6-8-19(9-7-17)23(27)29-16-22(26)25-20-10-12-21(13-11-20)28-15-18-4-2-1-3-5-18/h1-13H,15-16H2,(H,25,26).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate has a molecular weight of 386.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate is sourced from PubChem (CID 7717087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).