methyl N-methyl-N-propanoylcarbamate

C6H11NO3 — CID 18325681

IUPACmethyl N-methyl-N-propanoylcarbamate
SMILESCCC(=O)N(C)C(=O)OC
InChIInChI=1S/C6H11NO3/c1-4-5(8)7(2)6(9)10-3/h4H2,1-3H3
InChIKeyBYSHSNICSDWDCW-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.62
Rot. Bonds1

About methyl N-methyl-N-propanoylcarbamate

methyl N-methyl-N-propanoylcarbamate (PubChem CID 18325681) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl N-methyl-N-propanoylcarbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-propanoylcarbamate
PubChem CID18325681
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl N-methyl-N-propanoylcarbamate
SMILESCCC(=O)N(C)C(=O)OC
InChIInChI=1S/C6H11NO3/c1-4-5(8)7(2)6(9)10-3/h4H2,1-3H3
InChIKeyBYSHSNICSDWDCW-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-propanoylcarbamate?
The IUPAC name of methyl N-methyl-N-propanoylcarbamate (CID 18325681) is methyl N-methyl-N-propanoylcarbamate.
What is the SMILES notation for methyl N-methyl-N-propanoylcarbamate?
The canonical SMILES for methyl N-methyl-N-propanoylcarbamate is CCC(=O)N(C)C(=O)OC.
What is the InChIKey of methyl N-methyl-N-propanoylcarbamate?
The InChIKey is BYSHSNICSDWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-5(8)7(2)6(9)10-3/h4H2,1-3H3.
What are the key properties of methyl N-methyl-N-propanoylcarbamate?
methyl N-methyl-N-propanoylcarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-propanoylcarbamate is sourced from PubChem (CID 18325681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).