[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate

C22H26N2O6 — CID 7811999

IUPAC[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C22H26N2O6/c1-5-29-17-10-9-16(11-18(17)28-4)22(27)30-13-20(26)23-12-19(25)24-21-14(2)7-6-8-15(21)3/h6-11H,5,12-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRXJDXOSFZHIZKU-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.62
Rot. Bonds9

About [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (PubChem CID 7811999) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
PubChem CID7811999
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C22H26N2O6/c1-5-29-17-10-9-16(11-18(17)28-4)22(27)30-13-20(26)23-12-19(25)24-21-14(2)7-6-8-15(21)3/h6-11H,5,12-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRXJDXOSFZHIZKU-UHFFFAOYSA-N
XLogP2.62
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate with MolForge

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Related Compounds

[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558697
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7214372
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 7364828
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821139
[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381928
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7478177
[2-(2,3-dimethylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 724451
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 41121106
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 55475801
[2-(2,6-difluoroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592169
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (CID 7811999) is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NCC(=O)Nc2c(C)cccc2C)cc1OC.
What is the InChIKey of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The InChIKey is RXJDXOSFZHIZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-5-29-17-10-9-16(11-18(17)28-4)22(27)30-13-20(26)23-12-19(25)24-21-14(2)7-6-8-15(21)3/h6-11H,5,12-13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate has a molecular weight of 414.46 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 7811999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).