[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate

C24H22N2O5 — CID 8606761

IUPAC[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H22N2O5/c1-2-30-21-15-9-7-13-19(21)24(29)31-16-22(27)26-20-14-8-6-12-18(20)23(28)25-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyXFWWBPGZHXUPCX-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.13
Rot. Bonds8

About [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate (PubChem CID 8606761) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
PubChem CID8606761
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H22N2O5/c1-2-30-21-15-9-7-13-19(21)24(29)31-16-22(27)26-20-14-8-6-12-18(20)23(28)25-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyXFWWBPGZHXUPCX-UHFFFAOYSA-N
XLogP4.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197473
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758270
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate?
The IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate (CID 8606761) is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate?
The InChIKey is XFWWBPGZHXUPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-30-21-15-9-7-13-19(21)24(29)31-16-22(27)26-20-14-8-6-12-18(20)23(28)25-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate?
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate has a molecular weight of 418.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate is sourced from PubChem (CID 8606761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).