methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate

C8H16N2O3 — CID 137466832

IUPACmethyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N(C)C(C)C
InChIInChI=1S/C8H16N2O3/c1-6(2)10(3)7(11)5-9-8(12)13-4/h6H,5H2,1-4H3,(H,9,12)
InChIKeyAZODTMMDAINAHI-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.21
Rot. Bonds3

About methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate

methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 137466832) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID137466832
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N(C)C(C)C
InChIInChI=1S/C8H16N2O3/c1-6(2)10(3)7(11)5-9-8(12)13-4/h6H,5H2,1-4H3,(H,9,12)
InChIKeyAZODTMMDAINAHI-UHFFFAOYSA-N
XLogP0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate (CID 137466832) is methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N(C)C(C)C.
What is the InChIKey of methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is AZODTMMDAINAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)10(3)7(11)5-9-8(12)13-4/h6H,5H2,1-4H3,(H,9,12).
What are the key properties of methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate?
methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 137466832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).