[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C17H20N4O3 — CID 46425464

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCN(C(=O)COC(=O)CN(C)c1ncccn1)c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-3-21(14-8-5-4-6-9-14)15(22)13-24-16(23)12-20(2)17-18-10-7-11-19-17/h4-11H,3,12-13H2,1-2H3
InChIKeyPSXAVWLJSRDFMB-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.51
Rot. Bonds7

About [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 46425464) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID46425464
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCN(C(=O)COC(=O)CN(C)c1ncccn1)c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-3-21(14-8-5-4-6-9-14)15(22)13-24-16(23)12-20(2)17-18-10-7-11-19-17/h4-11H,3,12-13H2,1-2H3
InChIKeyPSXAVWLJSRDFMB-UHFFFAOYSA-N
XLogP1.51
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate with MolForge

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30886089
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602774
ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 43067977
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404407
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 46425464) is [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CCN(C(=O)COC(=O)CN(C)c1ncccn1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is PSXAVWLJSRDFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-21(14-8-5-4-6-9-14)15(22)13-24-16(23)12-20(2)17-18-10-7-11-19-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 328.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 46425464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).