[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C18H20N4O4 — CID 30885928

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)CN(C)c2ncccn2)cc1
InChIInChI=1S/C18H20N4O4/c1-3-16(24)21-14-7-5-13(6-8-14)15(23)12-26-17(25)11-22(2)18-19-9-4-10-20-18/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyIKYVHYWLFXYVAN-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.69
Rot. Bonds8

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 30885928) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID30885928
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)CN(C)c2ncccn2)cc1
InChIInChI=1S/C18H20N4O4/c1-3-16(24)21-14-7-5-13(6-8-14)15(23)12-26-17(25)11-22(2)18-19-9-4-10-20-18/h4-10H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyIKYVHYWLFXYVAN-UHFFFAOYSA-N
XLogP1.69
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602805
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
CID 8709346
(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602774
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602784
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906217
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829152
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425538

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 30885928) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CCC(=O)Nc1ccc(C(=O)COC(=O)CN(C)c2ncccn2)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is IKYVHYWLFXYVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-16(24)21-14-7-5-13(6-8-14)15(23)12-26-17(25)11-22(2)18-19-9-4-10-20-18/h4-10H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 356.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 30885928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).