tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate

C11H21NO3 — CID 144980325

IUPACtert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate
SMILESCC(C=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(8-13)6-7-12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyHGVHOEIMLJPXBR-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate

tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate (PubChem CID 144980325) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate
PubChem CID144980325
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate
SMILESCC(C=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(8-13)6-7-12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyHGVHOEIMLJPXBR-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-methyl-N-(3-methyl-4-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate (CID 144980325) is tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate is CC(C=O)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate?
The InChIKey is HGVHOEIMLJPXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(8-13)6-7-12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate?
tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(3-methyl-4-oxobutyl)carbamate is sourced from PubChem (CID 144980325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).