N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide

C22H26N2O2 — CID 3217784

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c1-26-21-9-5-8-17(12-21)22(25)23-18-13-19-10-11-20(14-18)24(19)15-16-6-3-2-4-7-16/h2-9,12,18-20H,10-11,13-15H2,1H3,(H,23,25)
InChIKeyOCRUJRRLNYMPPK-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.62
Rot. Bonds5

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide (PubChem CID 3217784) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide
PubChem CID3217784
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c1-26-21-9-5-8-17(12-21)22(25)23-18-13-19-10-11-20(14-18)24(19)15-16-6-3-2-4-7-16/h2-9,12,18-20H,10-11,13-15H2,1H3,(H,23,25)
InChIKeyOCRUJRRLNYMPPK-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide (CID 3217784) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide is COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide?
The InChIKey is OCRUJRRLNYMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-21-9-5-8-17(12-21)22(25)23-18-13-19-10-11-20(14-18)24(19)15-16-6-3-2-4-7-16/h2-9,12,18-20H,10-11,13-15H2,1H3,(H,23,25).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methoxybenzamide is sourced from PubChem (CID 3217784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).