tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate

C16H30N2O3 — CID 70944286

IUPACtert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-14-6-4-13(5-7-14)12-18-8-10-20-11-9-18/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyLTNDIFQDFIATFF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate

tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate (PubChem CID 70944286) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate
PubChem CID70944286
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-14-6-4-13(5-7-14)12-18-8-10-20-11-9-18/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyLTNDIFQDFIATFF-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate (CID 70944286) is tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CN2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate?
The InChIKey is LTNDIFQDFIATFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)17-14-6-4-13(5-7-14)12-18-8-10-20-11-9-18/h13-14H,4-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate?
tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(morpholin-4-ylmethyl)cyclohexyl]carbamate is sourced from PubChem (CID 70944286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).