2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate

C13H22N4O6 — CID 146825113

IUPAC2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1C(=O)N(CCOC(=O)NC)C(C)(C)C1=O
InChIInChI=1S/C13H22N4O6/c1-13(2)9(18)16(5-7-22-10(19)14-3)12(21)17(13)6-8-23-11(20)15-4/h5-8H2,1-4H3,(H,14,19)(H,15,20)
InChIKeySCUWVUGSFCXJFN-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.26
Rot. Bonds6

About 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate

2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate (PubChem CID 146825113) has the molecular formula C13H22N4O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate
PubChem CID146825113
Molecular FormulaC13H22N4O6
Molecular Weight330.34 g/mol
Exact Mass330.15
IUPAC Name2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1C(=O)N(CCOC(=O)NC)C(C)(C)C1=O
InChIInChI=1S/C13H22N4O6/c1-13(2)9(18)16(5-7-22-10(19)14-3)12(21)17(13)6-8-23-11(20)15-4/h5-8H2,1-4H3,(H,14,19)(H,15,20)
InChIKeySCUWVUGSFCXJFN-UHFFFAOYSA-N
XLogP-0.26
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-acetyloxy-2,2-bis(sulfanyl)ethyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate
CID 88796955
1,3-bis(3-methoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434094
1-(2-hydroxybutyl)-3-[2-[2-[3-(2-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethoxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 21434682
(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide
CID 70503793
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)
CID 22754387
2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
CID 174749311
4-sulfanylidenebutyl N-methylcarbamate
CID 22381142
6-(2,5-dioxopyrrol-1-yl)hexyl 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl carbonate
CID 169042160
tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
CID 166604130
ethane;propyl N-methylcarbamate
CID 142560404
5-hydroxypentyl N-methylcarbamate
CID 138694704

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate?
The IUPAC name of 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate (CID 146825113) is 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate is CNC(=O)OCCN1C(=O)N(CCOC(=O)NC)C(C)(C)C1=O.
What is the InChIKey of 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate?
The InChIKey is SCUWVUGSFCXJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O6/c1-13(2)9(18)16(5-7-22-10(19)14-3)12(21)17(13)6-8-23-11(20)15-4/h5-8H2,1-4H3,(H,14,19)(H,15,20).
What are the key properties of 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate?
2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate has a molecular weight of 330.34 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethyl-3-[2-(methylcarbamoyloxy)ethyl]-2,5-dioxoimidazolidin-1-yl]ethyl N-methylcarbamate is sourced from PubChem (CID 146825113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).