N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide

C23H28N2O — CID 15983138

IUPACN-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(CC1C2CCC1CNC2)C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H28N2O/c1-25(16-22-20-11-12-21(22)15-24-14-20)23(26)13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20-22,24H,11-16H2,1H3
InChIKeySGJJDNUBEITKSS-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.60
Rot. Bonds5

About N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide

N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide (PubChem CID 15983138) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
PubChem CID15983138
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(CC1C2CCC1CNC2)C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H28N2O/c1-25(16-22-20-11-12-21(22)15-24-14-20)23(26)13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20-22,24H,11-16H2,1H3
InChIKeySGJJDNUBEITKSS-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide (CID 15983138) is N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide is CN(CC1C2CCC1CNC2)C(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
The InChIKey is SGJJDNUBEITKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-25(16-22-20-11-12-21(22)15-24-14-20)23(26)13-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20-22,24H,11-16H2,1H3.
What are the key properties of N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide?
N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide has a molecular weight of 348.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 15983138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).