tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate

C12H24N2O4 — CID 54436887

IUPACtert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCON(C)C(=O)C(C)(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-11(2,3)18-10(16)13(6)12(4,5)9(15)14(7)17-8/h1-8H3
InChIKeyWLIYJGCVHCADTE-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 54436887) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID54436887
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCON(C)C(=O)C(C)(C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-11(2,3)18-10(16)13(6)12(4,5)9(15)14(7)17-8/h1-8H3
InChIKeyWLIYJGCVHCADTE-UHFFFAOYSA-N
XLogP1.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91623533
(2S)-N-methoxy-N,2,3-trimethyl-2-trimethylsilyloxybutanamide
CID 11207374
tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
tert-butyl 4-[methoxy(methyl)amino]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoate
CID 88965705
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 24824435
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
3-cyclobutyl-N-methoxy-N,2,2,3-tetramethylbutanamide
CID 88949774
N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide
CID 143976029
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]oxyacetic acid
CID 2755977

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate (CID 54436887) is tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate is CON(C)C(=O)C(C)(C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is WLIYJGCVHCADTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-11(2,3)18-10(16)13(6)12(4,5)9(15)14(7)17-8/h1-8H3.
What are the key properties of tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 260.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 54436887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).