3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide

C22H33N3O — CID 133120714

IUPAC3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H33N3O/c1-16(2)23-22(26)9-10-24-13-17-7-8-20(24)15-25(14-17)21-11-18-5-3-4-6-19(18)12-21/h3-6,16-17,20-21H,7-15H2,1-2H3,(H,23,26)/t17-,20-/m0/s1
InChIKeyNXOMYCAMIYVQFX-PXNSSMCTSA-N
MW355.53 g/mol
LogP2.46
Rot. Bonds5

About 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide

3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide (PubChem CID 133120714) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide
PubChem CID133120714
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H33N3O/c1-16(2)23-22(26)9-10-24-13-17-7-8-20(24)15-25(14-17)21-11-18-5-3-4-6-19(18)12-21/h3-6,16-17,20-21H,7-15H2,1-2H3,(H,23,26)/t17-,20-/m0/s1
InChIKeyNXOMYCAMIYVQFX-PXNSSMCTSA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide (CID 133120714) is 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2.
What is the InChIKey of 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide?
The InChIKey is NXOMYCAMIYVQFX-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H33N3O/c1-16(2)23-22(26)9-10-24-13-17-7-8-20(24)15-25(14-17)21-11-18-5-3-4-6-19(18)12-21/h3-6,16-17,20-21H,7-15H2,1-2H3,(H,23,26)/t17-,20-/m0/s1.
What are the key properties of 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide?
3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 355.53 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 133120714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).