2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

C11H22N2O4 — CID 145466025

IUPAC2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OCCOC)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)8(9(14)12-4)13-10(15)17-7-6-16-5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyXEKYVNJGWUODGJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.52
Rot. Bonds5

About 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (PubChem CID 145466025) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
PubChem CID145466025
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OCCOC)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)8(9(14)12-4)13-10(15)17-7-6-16-5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyXEKYVNJGWUODGJ-UHFFFAOYSA-N
XLogP0.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730277
decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730274
propyl 3,3-dimethyl-2-(propoxycarbonylamino)butanoate
CID 91702788
methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 123904437
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 90203567
pent-4-enyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate
CID 90718050
butyl 2-(ethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91713763
(2R)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-methylbutanediamide
CID 135172784
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (CID 145466025) is 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is CNC(=O)C(NC(=O)OCCOC)C(C)(C)C.
What is the InChIKey of 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is XEKYVNJGWUODGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)8(9(14)12-4)13-10(15)17-7-6-16-5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15).
What are the key properties of 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 145466025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).