3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide

C21H22N2O — CID 67101284

IUPAC3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
SMILESNC(=O)c1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C21H22N2O/c22-21(24)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)23(19)14-15-5-2-1-3-6-15/h1-8,11-12,19-20H,9-10,13-14H2,(H2,22,24)
InChIKeyDFGKIKCTQGMUAI-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.61
Rot. Bonds4

About 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide

3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide (PubChem CID 67101284) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide.

Molecular Properties

Compound Name3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
PubChem CID67101284
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
SMILESNC(=O)c1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C21H22N2O/c22-21(24)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)23(19)14-15-5-2-1-3-6-15/h1-8,11-12,19-20H,9-10,13-14H2,(H2,22,24)
InChIKeyDFGKIKCTQGMUAI-UHFFFAOYSA-N
XLogP3.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
CID 171971254
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
CID 171971550
8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-2-chlorobenzoic acid
CID 171969656
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
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

Frequently Asked Questions

What is the IUPAC name of 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
The IUPAC name of 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide (CID 67101284) is 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide.
What is the SMILES notation for 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
The canonical SMILES for 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide is NC(=O)c1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
The InChIKey is DFGKIKCTQGMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c22-21(24)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)23(19)14-15-5-2-1-3-6-15/h1-8,11-12,19-20H,9-10,13-14H2,(H2,22,24).
What are the key properties of 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide?
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide is sourced from PubChem (CID 67101284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).