N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

C15H26F2N2O3 — CID 136540520

IUPACN-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NCC2CCC(F)(F)CC2)CC(C)O1
InChIInChI=1S/C15H26F2N2O3/c1-11-8-19(9-13(22-11)10-21-2)14(20)18-7-12-3-5-15(16,17)6-4-12/h11-13H,3-10H2,1-2H3,(H,18,20)
InChIKeyMNEOYCFIRYSWEI-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.26
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 136540520) has the molecular formula C15H26F2N2O3 and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID136540520
Molecular FormulaC15H26F2N2O3
Molecular Weight320.38 g/mol
Exact Mass320.19
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOCC1CN(C(=O)NCC2CCC(F)(F)CC2)CC(C)O1
InChIInChI=1S/C15H26F2N2O3/c1-11-8-19(9-13(22-11)10-21-2)14(20)18-7-12-3-5-15(16,17)6-4-12/h11-13H,3-10H2,1-2H3,(H,18,20)
InChIKeyMNEOYCFIRYSWEI-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (CID 136540520) is N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is COCC1CN(C(=O)NCC2CCC(F)(F)CC2)CC(C)O1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is MNEOYCFIRYSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O3/c1-11-8-19(9-13(22-11)10-21-2)14(20)18-7-12-3-5-15(16,17)6-4-12/h11-13H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 136540520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).