3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C26H33N3O3 — CID 24896237

IUPAC3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3CCCN(Cc2ccccc2)C(=O)CO)c1
InChIInChI=1S/C26H33N3O3/c27-26(32)21-9-4-8-20(14-21)22-15-23-10-11-24(16-22)29(23)13-5-12-28(25(31)18-30)17-19-6-2-1-3-7-19/h1-4,6-9,14,22-24,30H,5,10-13,15-18H2,(H2,27,32)
InChIKeyCKXSFVAMUDREIL-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.91
Rot. Bonds9

About 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 24896237) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID24896237
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3CCCN(Cc2ccccc2)C(=O)CO)c1
InChIInChI=1S/C26H33N3O3/c27-26(32)21-9-4-8-20(14-21)22-15-23-10-11-24(16-22)29(23)13-5-12-28(25(31)18-30)17-19-6-2-1-3-7-19/h1-4,6-9,14,22-24,30H,5,10-13,15-18H2,(H2,27,32)
InChIKeyCKXSFVAMUDREIL-UHFFFAOYSA-N
XLogP2.91
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-[3-[benzyl-[(2S)-2,3-dihydroxypropanoyl]amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67184091
3-[(1S,5R)-8-[2-[(4-fluorophenyl)methyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide;2,2,2-trifluoroacetic acid
CID 134149376
3-[(1S,5R)-8-[2-[benzyl-(2-methylsulfonylacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183386
3-[8-[2-[benzyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 68547343
3-[(1S,5R)-8-[2-[(2,6-difluorophenyl)methyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183266
3-[8-[2-[(2,6-difluorophenyl)methyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 24896205
3-[8-[2-[benzyl-(3-hydroxy-2,2-dimethylpropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67185268
3-[8-[2-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 24896361
3-[(1S,5R)-8-[2-[1-adamantylmethyl-(2-hydroxyacetyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 68549443
3-[(1S,5R)-8-[2-[[(2S)-2,3-dihydroxypropanoyl]-(2-phenylethyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67183440
3-[8-[3-[2-ethylbutyl-(2-methylsulfonylacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67153242
3-[(1S,5R)-8-[3-[2,2-dimethylpropyl-[(2S)-2-hydroxypropanoyl]amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67153114

Frequently Asked Questions

What is the IUPAC name of 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 24896237) is 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is NC(=O)c1cccc(C2CC3CCC(C2)N3CCCN(Cc2ccccc2)C(=O)CO)c1.
What is the InChIKey of 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is CKXSFVAMUDREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c27-26(32)21-9-4-8-20(14-21)22-15-23-10-11-24(16-22)29(23)13-5-12-28(25(31)18-30)17-19-6-2-1-3-7-19/h1-4,6-9,14,22-24,30H,5,10-13,15-18H2,(H2,27,32).
What are the key properties of 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[3-[benzyl-(2-hydroxyacetyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 24896237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).