2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate

C8H16N2O3 — CID 3127488

IUPAC2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C8H16N2O3/c1-6(2)5-13-8(12)10-4-7(11)9-3/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyXUDNFFLYUMKKEE-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.11
Rot. Bonds4

About 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate

2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 3127488) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate
PubChem CID3127488
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C8H16N2O3/c1-6(2)5-13-8(12)10-4-7(11)9-3/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyXUDNFFLYUMKKEE-UHFFFAOYSA-N
XLogP0.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate (CID 3127488) is 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate is CNC(=O)CNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate?
The InChIKey is XUDNFFLYUMKKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)5-13-8(12)10-4-7(11)9-3/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate?
2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 3127488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).