tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate

C20H36N2O4 — CID 71882014

IUPACtert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate
SMILESCC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CC(C)OC(C)(C)C2)CC1
InChIInChI=1S/C20H36N2O4/c1-14-8-10-20(11-9-14,21-17(24)26-18(3,4)5)16(23)22-12-15(2)25-19(6,7)13-22/h14-15H,8-13H2,1-7H3,(H,21,24)
InChIKeyWZCLHAXBNOHMEE-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate

tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate (PubChem CID 71882014) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate
PubChem CID71882014
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nametert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate
SMILESCC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CC(C)OC(C)(C)C2)CC1
InChIInChI=1S/C20H36N2O4/c1-14-8-10-20(11-9-14,21-17(24)26-18(3,4)5)16(23)22-12-15(2)25-19(6,7)13-22/h14-15H,8-13H2,1-7H3,(H,21,24)
InChIKeyWZCLHAXBNOHMEE-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate (CID 71882014) is tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate is CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CC(C)OC(C)(C)C2)CC1.
What is the InChIKey of tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate?
The InChIKey is WZCLHAXBNOHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-14-8-10-20(11-9-14,21-17(24)26-18(3,4)5)16(23)22-12-15(2)25-19(6,7)13-22/h14-15H,8-13H2,1-7H3,(H,21,24).
What are the key properties of tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate?
tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate has a molecular weight of 368.52 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclohexyl]carbamate is sourced from PubChem (CID 71882014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).