N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide

C23H28N2O2 — CID 3218086

IUPACN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-22-12-10-18(11-13-22)23(26)24-19-14-20-8-5-9-21(15-19)25(20)16-17-6-3-2-4-7-17/h2-4,6-7,10-13,19-21H,5,8-9,14-16H2,1H3,(H,24,26)
InChIKeyMRBKHRPSGCPYCM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.01
Rot. Bonds5

About N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide

N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide (PubChem CID 3218086) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide
PubChem CID3218086
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C23H28N2O2/c1-27-22-12-10-18(11-13-22)23(26)24-19-14-20-8-5-9-21(15-19)25(20)16-17-6-3-2-4-7-17/h2-4,6-7,10-13,19-21H,5,8-9,14-16H2,1H3,(H,24,26)
InChIKeyMRBKHRPSGCPYCM-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide (CID 3218086) is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)cc1.
What is the InChIKey of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide?
The InChIKey is MRBKHRPSGCPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-22-12-10-18(11-13-22)23(26)24-19-14-20-8-5-9-21(15-19)25(20)16-17-6-3-2-4-7-17/h2-4,6-7,10-13,19-21H,5,8-9,14-16H2,1H3,(H,24,26).
What are the key properties of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide?
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 3218086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).