N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

C24H29N3O2 — CID 166217047

About N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 166217047) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
• PubChem CID: 166217047
• Molecular Formula: C24H29N3O2
• Molecular Weight: 391.51 g/mol
• Exact Mass: 391.23
• IUPAC Name: N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
• SMILES: CN1C2CCC1CN(C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)CC2
• InChI: InChI=1S/C24H29N3O2/c1-26-20-12-13-21(26)17-27(15-14-20)24(29)22(16-18-8-4-2-5-9-18)25-23(28)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3,(H,25,28)
• InChIKey: VHEZAOLJSZLLSJ-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.51
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?

The IUPAC name of N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 166217047) is N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.

What is the SMILES notation for N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?

The canonical SMILES for N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is CN1C2CCC1CN(C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)CC2.

What is the InChIKey of N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?

The InChIKey is VHEZAOLJSZLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-26-20-12-13-21(26)17-27(15-14-20)24(29)22(16-18-8-4-2-5-9-18)25-23(28)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3,(H,25,28).

What are the key properties of N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?

N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 391.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 166217047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).