[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C18H21N3O5 — CID 7633271

IUPAC[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCC[C@H](NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C)cc1
InChIInChI=1S/C18H21N3O5/c1-3-14(13-6-4-12(2)5-7-13)19-16(23)11-26-17(24)10-21-9-8-15(22)20-18(21)25/h4-9,14H,3,10-11H2,1-2H3,(H,19,23)(H,20,22,25)/t14-/m0/s1
InChIKeyAYBXIPGZNDRUHL-AWEZNQCLSA-N
MW359.38 g/mol
LogP0.66
Rot. Bonds7

About [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 7633271) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID7633271
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCC[C@H](NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C)cc1
InChIInChI=1S/C18H21N3O5/c1-3-14(13-6-4-12(2)5-7-13)19-16(23)11-26-17(24)10-21-9-8-15(22)20-18(21)25/h4-9,14H,3,10-11H2,1-2H3,(H,19,23)(H,20,22,25)/t14-/m0/s1
InChIKeyAYBXIPGZNDRUHL-AWEZNQCLSA-N
XLogP0.66
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632771
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632697
[2-(3-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063513
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063761
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791342
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632974
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11906079
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187031
[2-(4-butylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7602163

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 7633271) is [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is CC[C@H](NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(C)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is AYBXIPGZNDRUHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-3-14(13-6-4-12(2)5-7-13)19-16(23)11-26-17(24)10-21-9-8-15(22)20-18(21)25/h4-9,14H,3,10-11H2,1-2H3,(H,19,23)(H,20,22,25)/t14-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 359.38 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7633271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).