[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate

C22H26N2O6 — CID 2592276

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H26N2O6/c1-5-15-8-6-7-9-17(15)23-20(25)13-24(2)21(26)14-30-22(27)16-10-11-18(28-3)19(12-16)29-4/h6-12H,5,13-14H2,1-4H3,(H,23,25)
InChIKeySLDMHQYJTUOXNN-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.52
Rot. Bonds9

About [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate (PubChem CID 2592276) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
PubChem CID2592276
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H26N2O6/c1-5-15-8-6-7-9-17(15)23-20(25)13-24(2)21(26)14-30-22(27)16-10-11-18(28-3)19(12-16)29-4/h6-12H,5,13-14H2,1-4H3,(H,23,25)
InChIKeySLDMHQYJTUOXNN-UHFFFAOYSA-N
XLogP2.52
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate with MolForge

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-butoxybenzoate
CID 7844933
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200500
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 8607609
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544303
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665829
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541775
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611850
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515762
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate (CID 2592276) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The InChIKey is SLDMHQYJTUOXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-5-15-8-6-7-9-17(15)23-20(25)13-24(2)21(26)14-30-22(27)16-10-11-18(28-3)19(12-16)29-4/h6-12H,5,13-14H2,1-4H3,(H,23,25).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate has a molecular weight of 414.46 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 2592276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).