[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

C17H24N2O5 — CID 9197450

IUPAC[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)c1ccccc1OCC
InChIInChI=1S/C17H24N2O5/c1-4-18-15(20)11-19(5-2)16(21)12-24-17(22)13-9-7-8-10-14(13)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyPPABQDBOEUZVLZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.23
Rot. Bonds9

About [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 9197450) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID9197450
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCNC(=O)CN(CC)C(=O)COC(=O)c1ccccc1OCC
InChIInChI=1S/C17H24N2O5/c1-4-18-15(20)11-19(5-2)16(21)12-24-17(22)13-9-7-8-10-14(13)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyPPABQDBOEUZVLZ-UHFFFAOYSA-N
XLogP1.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841059
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347819
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011208
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 35950064
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197497
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2404850
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9417725
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 8607609
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847490
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (CID 9197450) is [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is CCNC(=O)CN(CC)C(=O)COC(=O)c1ccccc1OCC.
What is the InChIKey of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is PPABQDBOEUZVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-18-15(20)11-19(5-2)16(21)12-24-17(22)13-9-7-8-10-14(13)23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 336.39 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 9197450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).