3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide

C23H30N2O2 — CID 139387389

IUPAC3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C[C@@H]1CC3C4C1[C@H]34)C2
InChIInChI=1S/C23H30N2O2/c1-27-23(15-5-2-4-13(8-15)22(24)26)16-6-3-7-17(23)12-25(11-16)10-14-9-18-20-19(14)21(18)20/h2,4-5,8,14,16-21H,3,6-7,9-12H2,1H3,(H2,24,26)/t14-,16?,17?,18?,19?,20-,21?,23?/m0/s1
InChIKeyILCQONGMRNYBLN-RETQNXAESA-N
MW366.51 g/mol
LogP2.87
Rot. Bonds5

About 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide

3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (PubChem CID 139387389) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.

Molecular Properties

Compound Name3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
PubChem CID139387389
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C[C@@H]1CC3C4C1[C@H]34)C2
InChIInChI=1S/C23H30N2O2/c1-27-23(15-5-2-4-13(8-15)22(24)26)16-6-3-7-17(23)12-25(11-16)10-14-9-18-20-19(14)21(18)20/h2,4-5,8,14,16-21H,3,6-7,9-12H2,1H3,(H2,24,26)/t14-,16?,17?,18?,19?,20-,21?,23?/m0/s1
InChIKeyILCQONGMRNYBLN-RETQNXAESA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The IUPAC name of 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide (CID 139387389) is 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide.
What is the SMILES notation for 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The canonical SMILES for 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is COC1(c2cccc(C(N)=O)c2)C2CCCC1CN(C[C@@H]1CC3C4C1[C@H]34)C2.
What is the InChIKey of 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
The InChIKey is ILCQONGMRNYBLN-RETQNXAESA-N. The full InChI is InChI=1S/C23H30N2O2/c1-27-23(15-5-2-4-13(8-15)22(24)26)16-6-3-7-17(23)12-25(11-16)10-14-9-18-20-19(14)21(18)20/h2,4-5,8,14,16-21H,3,6-7,9-12H2,1H3,(H2,24,26)/t14-,16?,17?,18?,19?,20-,21?,23?/m0/s1.
What are the key properties of 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide?
3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-methoxy-3-[[(3R,6R)-3-tricyclo[3.1.0.02,6]hexanyl]methyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide is sourced from PubChem (CID 139387389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).