[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate

C24H23NO5 — CID 2605845

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23NO5/c1-2-28-22-15-9-7-13-20(22)25-23(26)17-30-24(27)19-12-6-8-14-21(19)29-16-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,25,26)
InChIKeyDFNLRIHTVUQSNF-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.46
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 2605845) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID2605845
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23NO5/c1-2-28-22-15-9-7-13-20(22)25-23(26)17-30-24(27)19-12-6-8-14-21(19)29-16-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,25,26)
InChIKeyDFNLRIHTVUQSNF-UHFFFAOYSA-N
XLogP4.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate
CID 2605864
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2116222
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11908108
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2399403
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149321
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197473

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate (CID 2605845) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate is CCOc1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is DFNLRIHTVUQSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-2-28-22-15-9-7-13-20(22)25-23(26)17-30-24(27)19-12-6-8-14-21(19)29-16-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,25,26).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate has a molecular weight of 405.45 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 2605845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).