tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate

C23H30N2O6 — CID 146221719

IUPACtert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate
SMILESCc1cn(CC(=O)OCc2cccc(CC(C)C)c2)c(=O)n(C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C23H30N2O6/c1-15(2)10-17-8-7-9-18(11-17)14-30-19(26)13-24-12-16(3)20(27)25(21(24)28)22(29)31-23(4,5)6/h7-9,11-12,15H,10,13-14H2,1-6H3
InChIKeySDHYLYYOSLVIEA-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.04
Rot. Bonds6

About tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate

tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate (PubChem CID 146221719) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate
PubChem CID146221719
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Nametert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate
SMILESCc1cn(CC(=O)OCc2cccc(CC(C)C)c2)c(=O)n(C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C23H30N2O6/c1-15(2)10-17-8-7-9-18(11-17)14-30-19(26)13-24-12-16(3)20(27)25(21(24)28)22(29)31-23(4,5)6/h7-9,11-12,15H,10,13-14H2,1-6H3
InChIKeySDHYLYYOSLVIEA-UHFFFAOYSA-N
XLogP3.04
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(3-chlorophenyl)-5-methyl-2,6-dioxopyrimidine-1-carboxylate
CID 11995395
ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
CID 18415006
(3-methylphenyl)methyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 42979961
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
2-[2-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzyl carbonate
CID 15374550
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
(2S)-2-amino-3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 168721470
ethyl 2-methyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 58009613
tert-butyl (2S,4R)-2-[(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 56595393
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62815511

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate?
The IUPAC name of tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate (CID 146221719) is tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate is Cc1cn(CC(=O)OCc2cccc(CC(C)C)c2)c(=O)n(C(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate?
The InChIKey is SDHYLYYOSLVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-15(2)10-17-8-7-9-18(11-17)14-30-19(26)13-24-12-16(3)20(27)25(21(24)28)22(29)31-23(4,5)6/h7-9,11-12,15H,10,13-14H2,1-6H3.
What are the key properties of tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate?
tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-3-[2-[[3-(2-methylpropyl)phenyl]methoxy]-2-oxoethyl]-2,6-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 146221719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).