[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C18H22N4O3 — CID 46602638

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CN(C)c1ncccn1
InChIInChI=1S/C18H22N4O3/c1-4-14-8-5-7-13(2)17(14)21-15(23)12-25-16(24)11-22(3)18-19-9-6-10-20-18/h5-10H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyLEECSTSGWRPXGO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.97
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 46602638) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID46602638
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CN(C)c1ncccn1
InChIInChI=1S/C18H22N4O3/c1-4-14-8-5-7-13(2)17(14)21-15(23)12-25-16(24)11-22(3)18-19-9-6-10-20-18/h5-10H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyLEECSTSGWRPXGO-UHFFFAOYSA-N
XLogP1.97
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508262
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602784
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413506
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906056
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906217
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 46602638) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CCc1cccc(C)c1NC(=O)COC(=O)CN(C)c1ncccn1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is LEECSTSGWRPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-14-8-5-7-13(2)17(14)21-15(23)12-25-16(24)11-22(3)18-19-9-6-10-20-18/h5-10H,4,11-12H2,1-3H3,(H,21,23).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 342.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 46602638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).