2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide

C15H24F2N4O2 — CID 56739423

IUPAC2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide
SMILESCC(C)n1ccnc1CN1CCOC(CCNC(=O)C(F)F)C1
InChIInChI=1S/C15H24F2N4O2/c1-11(2)21-6-5-18-13(21)10-20-7-8-23-12(9-20)3-4-19-15(22)14(16)17/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyILHCDKXSTKKEEJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.44
Rot. Bonds7

About 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide

2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide (PubChem CID 56739423) has the molecular formula C15H24F2N4O2 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide
PubChem CID56739423
Molecular FormulaC15H24F2N4O2
Molecular Weight330.38 g/mol
Exact Mass330.19
IUPAC Name2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide
SMILESCC(C)n1ccnc1CN1CCOC(CCNC(=O)C(F)F)C1
InChIInChI=1S/C15H24F2N4O2/c1-11(2)21-6-5-18-13(21)10-20-7-8-23-12(9-20)3-4-19-15(22)14(16)17/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyILHCDKXSTKKEEJ-UHFFFAOYSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide (CID 56739423) is 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide is CC(C)n1ccnc1CN1CCOC(CCNC(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide?
The InChIKey is ILHCDKXSTKKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O2/c1-11(2)21-6-5-18-13(21)10-20-7-8-23-12(9-20)3-4-19-15(22)14(16)17/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,22).
What are the key properties of 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide?
2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-[4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]acetamide is sourced from PubChem (CID 56739423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).