[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate

C18H21N3O5 — CID 9137000

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCNC(=O)[C@@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H21N3O5/c1-3-19-17(24)13(2)26-16(23)12-21-15(22)9-10-20(18(21)25)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyZUHXVYGXDYKPRH-CYBMUJFWSA-N
MW359.38 g/mol
LogP0.13
Rot. Bonds7

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate (PubChem CID 9137000) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
PubChem CID9137000
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCNC(=O)[C@@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H21N3O5/c1-3-19-17(24)13(2)26-16(23)12-21-15(22)9-10-20(18(21)25)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyZUHXVYGXDYKPRH-CYBMUJFWSA-N
XLogP0.13
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate with MolForge

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Related Compounds

(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136931
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(4-benzylpiperazin-1-yl)acetate
CID 95635747
naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136842
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
[2-(2-methylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136786
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55506945

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate (CID 9137000) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate is CCNC(=O)[C@@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The InChIKey is ZUHXVYGXDYKPRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-3-19-17(24)13(2)26-16(23)12-21-15(22)9-10-20(18(21)25)11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate has a molecular weight of 359.38 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 9137000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).