N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide

C24H30N2O3 — CID 3068195

IUPACN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC
InChIInChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27)
InChIKeyZEPBXECUPSIRLM-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.02
Rot. Bonds6

About N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide

N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide (PubChem CID 3068195) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide
PubChem CID3068195
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC
InChIInChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27)
InChIKeyZEPBXECUPSIRLM-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide (CID 3068195) is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC.
What is the InChIKey of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide?
The InChIKey is ZEPBXECUPSIRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-22-13-7-12-21(23(22)29-2)24(27)25-18-14-19-10-6-11-20(15-18)26(19)16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,25,27).
What are the key properties of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide?
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide has a molecular weight of 394.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 3068195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).