[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C20H22N2O4 — CID 8608774

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-13-8-14(2)10-18(9-13)22-19(24)12-26-20(25)11-16-4-6-17(7-5-16)21-15(3)23/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZFRGVACVYDIQHK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.99
Rot. Bonds6

About [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8608774) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8608774
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-13-8-14(2)10-18(9-13)22-19(24)12-26-20(25)11-16-4-6-17(7-5-16)21-15(3)23/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZFRGVACVYDIQHK-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608733
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(3-acetamidoanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671933
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8610417
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8608774) is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is ZFRGVACVYDIQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-8-14(2)10-18(9-13)22-19(24)12-26-20(25)11-16-4-6-17(7-5-16)21-15(3)23/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 354.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).