3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

C19H28N2O — CID 1461469

IUPAC3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc(C)c1)C2
InChIInChI=1S/C19H28N2O/c1-3-10-21-17-8-5-9-18(21)13-16(12-17)20-19(22)15-7-4-6-14(2)11-15/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3,(H,20,22)/t17-,18-/m1/s1
InChIKeyLVAXIZGNIQAUAO-QZTJIDSGSA-N
MW300.45 g/mol
LogP3.52
Rot. Bonds4

About 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 1461469) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID1461469
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc(C)c1)C2
InChIInChI=1S/C19H28N2O/c1-3-10-21-17-8-5-9-18(21)13-16(12-17)20-19(22)15-7-4-6-14(2)11-15/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3,(H,20,22)/t17-,18-/m1/s1
InChIKeyLVAXIZGNIQAUAO-QZTJIDSGSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide with MolForge

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Related Compounds

3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467036
3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461212
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 3217980
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461516
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
1-[(1R,5R)-9-butyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 7403457
3-methyl-N-[(1R,5R)-9-(phenylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110563
3-methyl-N-[(1R,5S)-9-(phenylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 7389862
N-cyclooctyl-3-methylbenzamide
CID 966011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 1461469) is 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc(C)c1)C2.
What is the InChIKey of 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is LVAXIZGNIQAUAO-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-10-21-17-8-5-9-18(21)13-16(12-17)20-19(22)15-7-4-6-14(2)11-15/h4,6-7,11,16-18H,3,5,8-10,12-13H2,1-2H3,(H,20,22)/t17-,18-/m1/s1.
What are the key properties of 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 300.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 1461469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).