tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate

C12H21NO3 — CID 24820328

IUPACtert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3
InChIKeyJAMGILZSPQRPBH-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate

tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate (PubChem CID 24820328) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate
PubChem CID24820328
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3
InChIKeyJAMGILZSPQRPBH-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate (CID 24820328) is tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate is CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1.
What is the InChIKey of tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate?
The InChIKey is JAMGILZSPQRPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate?
tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.37, 1 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-oxocyclohexyl)carbamate is sourced from PubChem (CID 24820328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).