2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide

C24H33F2N5O4 — CID 11584070

IUPAC2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
SMILESCCCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1
InChIInChI=1S/C24H33F2N5O4/c1-4-5-19(28-23(34)21(32)16-10-17(25)12-18(26)11-16)22(33)29-20-13-31(15-27-20)24(2,3)14-30-6-8-35-9-7-30/h10-13,15,19,21,32H,4-9,14H2,1-3H3,(H,28,34)(H,29,33)
InChIKeyXSQAKVOEISFPKD-UHFFFAOYSA-N
MW493.56 g/mol
LogP2.19
Rot. Bonds10

About 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide

2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide (PubChem CID 11584070) has the molecular formula C24H33F2N5O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
PubChem CID11584070
Molecular FormulaC24H33F2N5O4
Molecular Weight493.56 g/mol
Exact Mass493.25
IUPAC Name2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
SMILESCCCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1
InChIInChI=1S/C24H33F2N5O4/c1-4-5-19(28-23(34)21(32)16-10-17(25)12-18(26)11-16)22(33)29-20-13-31(15-27-20)24(2,3)14-30-6-8-35-9-7-30/h10-13,15,19,21,32H,4-9,14H2,1-3H3,(H,28,34)(H,29,33)
InChIKeyXSQAKVOEISFPKD-UHFFFAOYSA-N
XLogP2.19
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide (CID 11584070) is 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide is CCCC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
The InChIKey is XSQAKVOEISFPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N5O4/c1-4-5-19(28-23(34)21(32)16-10-17(25)12-18(26)11-16)22(33)29-20-13-31(15-27-20)24(2,3)14-30-6-8-35-9-7-30/h10-13,15,19,21,32H,4-9,14H2,1-3H3,(H,28,34)(H,29,33).
What are the key properties of 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide has a molecular weight of 493.56 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide is sourced from PubChem (CID 11584070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).