[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate

C19H22N4O6 — CID 9136931

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H22N4O6/c1-13(2)20-18(27)21-15(24)12-29-17(26)11-23-16(25)8-9-22(19(23)28)10-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,20,21,24,27)
InChIKeyFSCCNEUTMPSFFN-UHFFFAOYSA-N
MW402.41 g/mol
LogP-0.16
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate (PubChem CID 9136931) has the molecular formula C19H22N4O6 and a molecular weight of 402.41 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
PubChem CID9136931
Molecular FormulaC19H22N4O6
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C19H22N4O6/c1-13(2)20-18(27)21-15(24)12-29-17(26)11-23-16(25)8-9-22(19(23)28)10-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,20,21,24,27)
InChIKeyFSCCNEUTMPSFFN-UHFFFAOYSA-N
XLogP-0.16
TPSA128.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136786
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136802
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986851
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9137000
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136842
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
(4-nitrophenyl)methyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136770
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
CID 8589186

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate (CID 9136931) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate is CC(C)NC(=O)NC(=O)COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The InChIKey is FSCCNEUTMPSFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6/c1-13(2)20-18(27)21-15(24)12-29-17(26)11-23-16(25)8-9-22(19(23)28)10-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,20,21,24,27).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate has a molecular weight of 402.41 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 9136931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).