[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

C21H24N2O5 — CID 9197473

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCC(=O)Nc1ccccc1CC
InChIInChI=1S/C21H24N2O5/c1-3-15-9-5-7-11-17(15)23-19(24)13-22-20(25)14-28-21(26)16-10-6-8-12-18(16)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLMWAZYRUJVUIFQ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.56
Rot. Bonds9

About [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 9197473) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID9197473
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCC(=O)Nc1ccccc1CC
InChIInChI=1S/C21H24N2O5/c1-3-15-9-5-7-11-17(15)23-19(24)13-22-20(25)14-28-21(26)16-10-6-8-12-18(16)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLMWAZYRUJVUIFQ-UHFFFAOYSA-N
XLogP2.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 8581015
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 8607609
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197497
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201594
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 7758284
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386285
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (CID 9197473) is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)NCC(=O)Nc1ccccc1CC.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is LMWAZYRUJVUIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-15-9-5-7-11-17(15)23-19(24)13-22-20(25)14-28-21(26)16-10-6-8-12-18(16)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 384.43 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 9197473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).