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

C23H28N2O4 — CID 8527229

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C23H28N2O4/c1-5-19-8-6-7-9-20(19)24-21(26)14-25(4)22(27)15-29-23(28)13-18-11-10-16(2)17(3)12-18/h6-12H,5,13-15H2,1-4H3,(H,24,26)
InChIKeyYSSIADGNEXXBLP-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.05
Rot. Bonds8

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

[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate (PubChem CID 8527229) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
PubChem CID8527229
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C23H28N2O4/c1-5-19-8-6-7-9-20(19)24-21(26)14-25(4)22(27)15-29-23(28)13-18-11-10-16(2)17(3)12-18/h6-12H,5,13-15H2,1-4H3,(H,24,26)
InChIKeyYSSIADGNEXXBLP-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate (CID 8527229) is [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate is CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The InChIKey is YSSIADGNEXXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-19-8-6-7-9-20(19)24-21(26)14-25(4)22(27)15-29-23(28)13-18-11-10-16(2)17(3)12-18/h6-12H,5,13-15H2,1-4H3,(H,24,26).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate has a molecular weight of 396.49 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 8527229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).