3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

C24H30N2O — CID 1467036

IUPAC3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2cccc(C)c2)C3)cc1
InChIInChI=1S/C24H30N2O/c1-17-9-11-19(12-10-17)16-26-22-7-4-8-23(26)15-21(14-22)25-24(27)20-6-3-5-18(2)13-20/h3,5-6,9-13,21-23H,4,7-8,14-16H2,1-2H3,(H,25,27)/t22-,23-/m0/s1
InChIKeyZQYKCZZWHPNXKQ-GOTSBHOMSA-N
MW362.52 g/mol
LogP4.62
Rot. Bonds4

About 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 1467036) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID1467036
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2cccc(C)c2)C3)cc1
InChIInChI=1S/C24H30N2O/c1-17-9-11-19(12-10-17)16-26-22-7-4-8-23(26)15-21(14-22)25-24(27)20-6-3-5-18(2)13-20/h3,5-6,9-13,21-23H,4,7-8,14-16H2,1-2H3,(H,25,27)/t22-,23-/m0/s1
InChIKeyZQYKCZZWHPNXKQ-GOTSBHOMSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461469
3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461212
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
2-chloro-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110280
2-methyl-N-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 51685001
1-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 1460523
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3-methylphenyl)urea
CID 3217177
N-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3,4-dimethoxybenzamide
CID 1461856
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
CID 45144897
3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268
3-methyl-N-[(1R,5R)-9-(phenylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 1467036) is 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2cccc(C)c2)C3)cc1.
What is the InChIKey of 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is ZQYKCZZWHPNXKQ-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17-9-11-19(12-10-17)16-26-22-7-4-8-23(26)15-21(14-22)25-24(27)20-6-3-5-18(2)13-20/h3,5-6,9-13,21-23H,4,7-8,14-16H2,1-2H3,(H,25,27)/t22-,23-/m0/s1.
What are the key properties of 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 362.52 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 1467036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).