tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate

C14H25NO3 — CID 59746512

IUPACtert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate
SMILESCN(CCC1CCC(=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15(4)10-9-11-5-7-12(16)8-6-11/h11H,5-10H2,1-4H3
InChIKeyHSVTXQCWJHTSPB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate

tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate (PubChem CID 59746512) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate
PubChem CID59746512
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate
SMILESCN(CCC1CCC(=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15(4)10-9-11-5-7-12(16)8-6-11/h11H,5-10H2,1-4H3
InChIKeyHSVTXQCWJHTSPB-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.00
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-[2-(4-oxocyclohexyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate (CID 59746512) is tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate is CN(CCC1CCC(=O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate?
The InChIKey is HSVTXQCWJHTSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15(4)10-9-11-5-7-12(16)8-6-11/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(4-oxocyclohexyl)ethyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.00, 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-[2-(4-oxocyclohexyl)ethyl]carbamate is sourced from PubChem (CID 59746512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).