1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate

C8H17N3O3 — CID 89183272

IUPAC1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CN(C)C(=O)NC
InChIInChI=1S/C8H17N3O3/c1-6(14-8(13)10-3)5-11(4)7(12)9-2/h6H,5H2,1-4H3,(H,9,12)(H,10,13)
InChIKeyOAHXXLXCERVGLP-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.00
Rot. Bonds3

About 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate

1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate (PubChem CID 89183272) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate
PubChem CID89183272
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate
SMILESCNC(=O)OC(C)CN(C)C(=O)NC
InChIInChI=1S/C8H17N3O3/c1-6(14-8(13)10-3)5-11(4)7(12)9-2/h6H,5H2,1-4H3,(H,9,12)(H,10,13)
InChIKeyOAHXXLXCERVGLP-UHFFFAOYSA-N
XLogP0.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate?
The IUPAC name of 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate (CID 89183272) is 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate.
What is the SMILES notation for 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate?
The canonical SMILES for 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate is CNC(=O)OC(C)CN(C)C(=O)NC.
What is the InChIKey of 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate?
The InChIKey is OAHXXLXCERVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(14-8(13)10-3)5-11(4)7(12)9-2/h6H,5H2,1-4H3,(H,9,12)(H,10,13).
What are the key properties of 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate?
1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate has a molecular weight of 203.24 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(methylcarbamoyl)amino]propan-2-yl N-methylcarbamate is sourced from PubChem (CID 89183272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).