2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide

C15H27F2N3O4 — CID 67684824

IUPAC2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide
SMILESCC(C)C(CC(N)=O)C(O)C(F)(F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H27F2N3O4/c1-10(2)11(9-12(18)21)13(22)15(16,17)14(23)19-3-4-20-5-7-24-8-6-20/h10-11,13,22H,3-9H2,1-2H3,(H2,18,21)(H,19,23)
InChIKeyFDARJHQELVDQMA-UHFFFAOYSA-N
MW351.39 g/mol
LogP-0.42
Rot. Bonds9

About 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide

2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide (PubChem CID 67684824) has the molecular formula C15H27F2N3O4 and a molecular weight of 351.39 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide
PubChem CID67684824
Molecular FormulaC15H27F2N3O4
Molecular Weight351.39 g/mol
Exact Mass351.20
IUPAC Name2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide
SMILESCC(C)C(CC(N)=O)C(O)C(F)(F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H27F2N3O4/c1-10(2)11(9-12(18)21)13(22)15(16,17)14(23)19-3-4-20-5-7-24-8-6-20/h10-11,13,22H,3-9H2,1-2H3,(H2,18,21)(H,19,23)
InChIKeyFDARJHQELVDQMA-UHFFFAOYSA-N
XLogP-0.42
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
The IUPAC name of 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide (CID 67684824) is 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide is CC(C)C(CC(N)=O)C(O)C(F)(F)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
The InChIKey is FDARJHQELVDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O4/c1-10(2)11(9-12(18)21)13(22)15(16,17)14(23)19-3-4-20-5-7-24-8-6-20/h10-11,13,22H,3-9H2,1-2H3,(H2,18,21)(H,19,23).
What are the key properties of 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide?
2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide has a molecular weight of 351.39 g/mol, XLogP of -0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-propan-2-ylhexanediamide is sourced from PubChem (CID 67684824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).