4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide

C22H24N2O — CID 171971254

IUPAC4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
SMILESNC(=O)c1ccc(C2=CC3CCCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c23-22(25)18-11-9-17(10-12-18)19-13-20-7-4-8-21(14-19)24(20)15-16-5-2-1-3-6-16/h1-3,5-6,9-13,20-21H,4,7-8,14-15H2,(H2,23,25)
InChIKeyJZMXECWMDFZTSO-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.00
Rot. Bonds4

About 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide

4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide (PubChem CID 171971254) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide.

Molecular Properties

Compound Name4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
PubChem CID171971254
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
SMILESNC(=O)c1ccc(C2=CC3CCCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c23-22(25)18-11-9-17(10-12-18)19-13-20-7-4-8-21(14-19)24(20)15-16-5-2-1-3-6-16/h1-3,5-6,9-13,20-21H,4,7-8,14-15H2,(H2,23,25)
InChIKeyJZMXECWMDFZTSO-UHFFFAOYSA-N
XLogP4.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 67101284
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-2-chlorobenzoic acid
CID 171969656
[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
CID 171971550
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971789
3-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenoxy]propanenitrile
CID 171969388
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-N,N-dimethylpyrimidin-2-amine
CID 171971381
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-1,3-benzoxazole
CID 171970818

Frequently Asked Questions

What is the IUPAC name of 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide?
The IUPAC name of 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide (CID 171971254) is 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide.
What is the SMILES notation for 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide?
The canonical SMILES for 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide is NC(=O)c1ccc(C2=CC3CCCC(C2)N3Cc2ccccc2)cc1.
What is the InChIKey of 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide?
The InChIKey is JZMXECWMDFZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c23-22(25)18-11-9-17(10-12-18)19-13-20-7-4-8-21(14-19)24(20)15-16-5-2-1-3-6-16/h1-3,5-6,9-13,20-21H,4,7-8,14-15H2,(H2,23,25).
What are the key properties of 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide?
4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide has a molecular weight of 332.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide is sourced from PubChem (CID 171971254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).