N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide

C29H38N2O3 — CID 22001671

About N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide

N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide (PubChem CID 22001671) has the molecular formula C29H38N2O3 and a molecular weight of 462.63 g/mol. Its IUPAC name is N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide
• PubChem CID: 22001671
• Molecular Formula: C29H38N2O3
• Molecular Weight: 462.63 g/mol
• Exact Mass: 462.29
• IUPAC Name: N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide
• SMILES: CCC(=O)N(CC1CC2CCC(C1)N2Cc1ccccc1)C1Cc2c(OC)ccc(OC)c2C1
• InChI: InChI=1S/C29H38N2O3/c1-4-29(32)31(24-16-25-26(17-24)28(34-3)13-12-27(25)33-2)19-21-14-22-10-11-23(15-21)30(22)18-20-8-6-5-7-9-20/h5-9,12-13,21-24H,4,10-11,14-19H2,1-3H3
• InChIKey: VZNUTYBUXADWSX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.63
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide?

The IUPAC name of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide (CID 22001671) is N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide.

What is the SMILES notation for N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide?

The canonical SMILES for N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide is CCC(=O)N(CC1CC2CCC(C1)N2Cc1ccccc1)C1Cc2c(OC)ccc(OC)c2C1.

What is the InChIKey of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide?

The InChIKey is VZNUTYBUXADWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O3/c1-4-29(32)31(24-16-25-26(17-24)28(34-3)13-12-27(25)33-2)19-21-14-22-10-11-23(15-21)30(22)18-20-8-6-5-7-9-20/h5-9,12-13,21-24H,4,10-11,14-19H2,1-3H3.

What are the key properties of N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide?

N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide has a molecular weight of 462.63 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)propanamide is sourced from PubChem (CID 22001671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).