[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

C22H26N2O5 — CID 7815255

IUPAC[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C22H26N2O5/c1-14-8-9-18(17(4)10-14)28-13-21(27)29-12-20(26)23-11-19(25)24-22-15(2)6-5-7-16(22)3/h5-10H,11-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyVVZADUSTYDTFRO-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.60
Rot. Bonds8

About [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 7815255) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID7815255
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C22H26N2O5/c1-14-8-9-18(17(4)10-14)28-13-21(27)29-12-20(26)23-11-19(25)24-22-15(2)6-5-7-16(22)3/h5-10H,11-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyVVZADUSTYDTFRO-UHFFFAOYSA-N
XLogP2.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate with MolForge

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7290832
[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814066
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919045
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (CID 7815255) is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1.
What is the InChIKey of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is VVZADUSTYDTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14-8-9-18(17(4)10-14)28-13-21(27)29-12-20(26)23-11-19(25)24-22-15(2)6-5-7-16(22)3/h5-10H,11-13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 398.46 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 7815255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).