tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate

C11H21NO3 — CID 87918870

IUPACtert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate
SMILESCN(CC(C)(C)C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12(6)7-11(4,5)8-13/h8H,7H2,1-6H3
InChIKeyVTSQGUKMJZKNDN-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.08
Rot. Bonds3

About tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate

tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate (PubChem CID 87918870) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate
PubChem CID87918870
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate
SMILESCN(CC(C)(C)C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12(6)7-11(4,5)8-13/h8H,7H2,1-6H3
InChIKeyVTSQGUKMJZKNDN-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate (CID 87918870) is tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate is CN(CC(C)(C)C=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate?
The InChIKey is VTSQGUKMJZKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12(6)7-11(4,5)8-13/h8H,7H2,1-6H3.
What are the key properties of tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate?
tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dimethyl-3-oxopropyl)-N-methylcarbamate is sourced from PubChem (CID 87918870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).