2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide

C15H27F2N3O3 — CID 67645338

IUPAC2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide
SMILESCC(C)C(CC(N)=O)CC(F)(F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H27F2N3O3/c1-11(2)12(9-13(18)21)10-15(16,17)14(22)19-3-4-20-5-7-23-8-6-20/h11-12H,3-10H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyDCGJGGLXBRNPFL-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.61
Rot. Bonds9

About 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide

2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide (PubChem CID 67645338) has the molecular formula C15H27F2N3O3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide
PubChem CID67645338
Molecular FormulaC15H27F2N3O3
Molecular Weight335.40 g/mol
Exact Mass335.20
IUPAC Name2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide
SMILESCC(C)C(CC(N)=O)CC(F)(F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H27F2N3O3/c1-11(2)12(9-13(18)21)10-15(16,17)14(22)19-3-4-20-5-7-23-8-6-20/h11-12H,3-10H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyDCGJGGLXBRNPFL-UHFFFAOYSA-N
XLogP0.61
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propyl-pentanoic acid (2-morpholin-4-yl-ethyl)-amide
CID 6602917
N1-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751077
N-[2-(4-morpholinyl)ethyl]cyclohexanecarboxamide
CID 797769
N-[2-(morpholin-4-yl)ethyl]cyclopentanecarboxamide
CID 868845
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 11912294
N-[2-(Morpholin-4-YL)ethyl]-2-propylpentanamide
CID 3125057
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 42913823
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3290804
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855377
4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855422
2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855456

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
The IUPAC name of 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide (CID 67645338) is 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide.
What is the SMILES notation for 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
The canonical SMILES for 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide is CC(C)C(CC(N)=O)CC(F)(F)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
The InChIKey is DCGJGGLXBRNPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O3/c1-11(2)12(9-13(18)21)10-15(16,17)14(22)19-3-4-20-5-7-23-8-6-20/h11-12H,3-10H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide has a molecular weight of 335.40 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide is sourced from PubChem (CID 67645338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).