tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate

C10H19NO3 — CID 22714607

IUPACtert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate
SMILESCC(CC=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-8(6-7-12)11(5)9(13)14-10(2,3)4/h7-8H,6H2,1-5H3
InChIKeyDJSNLXXGXPTFDE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate

tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate (PubChem CID 22714607) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate
PubChem CID22714607
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate
SMILESCC(CC=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-8(6-7-12)11(5)9(13)14-10(2,3)4/h7-8H,6H2,1-5H3
InChIKeyDJSNLXXGXPTFDE-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.83
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-(4-oxobutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate (CID 22714607) is tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate is CC(CC=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate?
The InChIKey is DJSNLXXGXPTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(6-7-12)11(5)9(13)14-10(2,3)4/h7-8H,6H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate?
tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.83, 3 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-(4-oxobutan-2-yl)carbamate is sourced from PubChem (CID 22714607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).