[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C17H19N3O3 — CID 30886030

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CN(C)c2ncccn2)c1
InChIInChI=1S/C17H19N3O3/c1-12-5-6-13(2)14(9-12)15(21)11-23-16(22)10-20(3)17-18-7-4-8-19-17/h4-9H,10-11H2,1-3H3
InChIKeyXWNUNOUDTQSZSD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.96
Rot. Bonds6

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 30886030) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID30886030
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CN(C)c2ncccn2)c1
InChIInChI=1S/C17H19N3O3/c1-12-5-6-13(2)14(9-12)15(21)11-23-16(22)10-20(3)17-18-7-4-8-19-17/h4-9H,10-11H2,1-3H3
InChIKeyXWNUNOUDTQSZSD-UHFFFAOYSA-N
XLogP1.96
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602774
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515362
bis[2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-but-2-enedioate
CID 46803606
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140911
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274969
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885928
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,5-dimethylbenzoate
CID 2519588
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 30886030) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is Cc1ccc(C)c(C(=O)COC(=O)CN(C)c2ncccn2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is XWNUNOUDTQSZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-5-6-13(2)14(9-12)15(21)11-23-16(22)10-20(3)17-18-7-4-8-19-17/h4-9H,10-11H2,1-3H3.
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 313.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 30886030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).