2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide

C19H31N3O6 — CID 91529616

IUPAC2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide
SMILESCCC1OC(n2cc(C(C)(C)C)c(=O)[nH]c2=O)C(OC(C)(C)C(=O)NC)C1O
InChIInChI=1S/C19H31N3O6/c1-8-11-12(23)13(28-19(5,6)16(25)20-7)15(27-11)22-9-10(18(2,3)4)14(24)21-17(22)26/h9,11-13,15,23H,8H2,1-7H3,(H,20,25)(H,21,24,26)
InChIKeyIOLPOESIEOWXSF-UHFFFAOYSA-N
MW397.47 g/mol
LogP0.41
Rot. Bonds5

About 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide

2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide (PubChem CID 91529616) has the molecular formula C19H31N3O6 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide
PubChem CID91529616
Molecular FormulaC19H31N3O6
Molecular Weight397.47 g/mol
Exact Mass397.22
IUPAC Name2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide
SMILESCCC1OC(n2cc(C(C)(C)C)c(=O)[nH]c2=O)C(OC(C)(C)C(=O)NC)C1O
InChIInChI=1S/C19H31N3O6/c1-8-11-12(23)13(28-19(5,6)16(25)20-7)15(27-11)22-9-10(18(2,3)4)14(24)21-17(22)26/h9,11-13,15,23H,8H2,1-7H3,(H,20,25)(H,21,24,26)
InChIKeyIOLPOESIEOWXSF-UHFFFAOYSA-N
XLogP0.41
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-tert-butyl-1-[5-ethyl-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 91284540
N-[[1-[(3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-2,2,2-trifluoroacetamide
CID 126544648
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159995307
5-ethyl-1-[5-ethyl-4-hydroxy-3-(1-methoxypropan-2-yloxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 91296344
(2R,4R,6R)-4-ethyl-5-hydroxy-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one;(2S)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;(2R)-2-[(2R,3S,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-N-methylpropanamide;2-hydroxy-N-methylpropanamide;molecular hydrogen
CID 162193619
1-[(2R,5R)-3-(2-aminoethoxy)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;2-cyanoethyl N-[2-[(2R,5R)-5-ethyl-4-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyethyl]carbamate
CID 162119687
methyl 2-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 118370248
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
1-[(2R,3R,4R,5R)-5-[(1S)-1-deuterioethyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 88880674
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
[(2R,4S,5R)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 118149146
methyl 3-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxopropanoate
CID 172745372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide?
The IUPAC name of 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide (CID 91529616) is 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide?
The canonical SMILES for 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide is CCC1OC(n2cc(C(C)(C)C)c(=O)[nH]c2=O)C(OC(C)(C)C(=O)NC)C1O.
What is the InChIKey of 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide?
The InChIKey is IOLPOESIEOWXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O6/c1-8-11-12(23)13(28-19(5,6)16(25)20-7)15(27-11)22-9-10(18(2,3)4)14(24)21-17(22)26/h9,11-13,15,23H,8H2,1-7H3,(H,20,25)(H,21,24,26).
What are the key properties of 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide?
2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide has a molecular weight of 397.47 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-tert-butyl-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-hydroxyoxolan-3-yl]oxy-N,2-dimethylpropanamide is sourced from PubChem (CID 91529616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).