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

C19H17N3O3 — CID 46602774

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)c1ccc2ccccc2c1)c1ncccn1
InChIInChI=1S/C19H17N3O3/c1-22(19-20-9-4-10-21-19)12-18(24)25-13-17(23)16-8-7-14-5-2-3-6-15(14)11-16/h2-11H,12-13H2,1H3
InChIKeyXGYQXOJIEXWABK-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.49
Rot. Bonds6

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

(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 46602774) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID46602774
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCN(CC(=O)OCC(=O)c1ccc2ccccc2c1)c1ncccn1
InChIInChI=1S/C19H17N3O3/c1-22(19-20-9-4-10-21-19)12-18(24)25-13-17(23)16-8-7-14-5-2-3-6-15(14)11-16/h2-11H,12-13H2,1H3
InChIKeyXGYQXOJIEXWABK-UHFFFAOYSA-N
XLogP2.49
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885928
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30886030
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
2-(3-bromophenoxy)ethyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55603448
2-(3-aminophenoxy)-1-naphthalen-2-ylethanone
CID 46307596
(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 17464453
(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 19132649

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 46602774) is (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate is CN(CC(=O)OCC(=O)c1ccc2ccccc2c1)c1ncccn1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is XGYQXOJIEXWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22(19-20-9-4-10-21-19)12-18(24)25-13-17(23)16-8-7-14-5-2-3-6-15(14)11-16/h2-11H,12-13H2,1H3.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate?
(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 335.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 46602774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).