4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide

C17H32N2O3 — CID 132948281

IUPAC4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(CC2(O)CCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C17H32N2O3/c1-15(2,3)13-5-7-17(21,8-6-13)12-19-9-10-22-16(4,11-19)14(18)20/h13,21H,5-12H2,1-4H3,(H2,18,20)
InChIKeyVKSJXBICMQLHJM-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.53
Rot. Bonds3

About 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide

4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide (PubChem CID 132948281) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide
PubChem CID132948281
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(CC2(O)CCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C17H32N2O3/c1-15(2,3)13-5-7-17(21,8-6-13)12-19-9-10-22-16(4,11-19)14(18)20/h13,21H,5-12H2,1-4H3,(H2,18,20)
InChIKeyVKSJXBICMQLHJM-UHFFFAOYSA-N
XLogP1.53
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide (CID 132948281) is 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide is CC1(C(N)=O)CN(CC2(O)CCC(C(C)(C)C)CC2)CCO1.
What is the InChIKey of 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is VKSJXBICMQLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-15(2,3)13-5-7-17(21,8-6-13)12-19-9-10-22-16(4,11-19)14(18)20/h13,21H,5-12H2,1-4H3,(H2,18,20).
What are the key properties of 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide?
4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 132948281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).