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

C28H37N3O3 — CID 69136288

IUPACN-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCC(C)(O)C(=O)N(CCCC1C(NC(=O)c2ccccc2)CC2CCC1N2)Cc1ccccc1
InChIInChI=1S/C28H37N3O3/c1-28(2,34)27(33)31(19-20-10-5-3-6-11-20)17-9-14-23-24-16-15-22(29-24)18-25(23)30-26(32)21-12-7-4-8-13-21/h3-8,10-13,22-25,29,34H,9,14-19H2,1-2H3,(H,30,32)
InChIKeyAZYPKEOIJDROEM-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.51
Rot. Bonds9

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

N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 69136288) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID69136288
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCC(C)(O)C(=O)N(CCCC1C(NC(=O)c2ccccc2)CC2CCC1N2)Cc1ccccc1
InChIInChI=1S/C28H37N3O3/c1-28(2,34)27(33)31(19-20-10-5-3-6-11-20)17-9-14-23-24-16-15-22(29-24)18-25(23)30-26(32)21-12-7-4-8-13-21/h3-8,10-13,22-25,29,34H,9,14-19H2,1-2H3,(H,30,32)
InChIKeyAZYPKEOIJDROEM-UHFFFAOYSA-N
XLogP3.51
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 69136288) is N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is CC(C)(O)C(=O)N(CCCC1C(NC(=O)c2ccccc2)CC2CCC1N2)Cc1ccccc1.
What is the InChIKey of N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is AZYPKEOIJDROEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-28(2,34)27(33)31(19-20-10-5-3-6-11-20)17-9-14-23-24-16-15-22(29-24)18-25(23)30-26(32)21-12-7-4-8-13-21/h3-8,10-13,22-25,29,34H,9,14-19H2,1-2H3,(H,30,32).
What are the key properties of N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 463.62 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[benzyl-(2-hydroxy-2-methylpropanoyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 69136288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).