3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

C20H30N2O — CID 1461212

IUPAC3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3CC(C)C)c1
InChIInChI=1S/C20H30N2O/c1-14(2)13-22-18-8-5-9-19(22)12-17(11-18)21-20(23)16-7-4-6-15(3)10-16/h4,6-7,10,14,17-19H,5,8-9,11-13H2,1-3H3,(H,21,23)/t17?,18-,19+
InChIKeyYGBSKQANPMTORI-YQQQUEKLSA-N
MW314.47 g/mol
LogP3.77
Rot. Bonds4

About 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 1461212) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID1461212
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3CC(C)C)c1
InChIInChI=1S/C20H30N2O/c1-14(2)13-22-18-8-5-9-19(22)12-17(11-18)21-20(23)16-7-4-6-15(3)10-16/h4,6-7,10,14,17-19H,5,8-9,11-13H2,1-3H3,(H,21,23)/t17?,18-,19+
InChIKeyYGBSKQANPMTORI-YQQQUEKLSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.77
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,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467036
1-(3-methylphenyl)-3-[9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 3217885
3-methyl-N-[(1R,5S)-9-(phenylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 7389862
3-methyl-N-[(1R,5R)-9-(phenylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110563
N-cyclooctyl-3-methylbenzamide
CID 966011
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403530
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
CID 45144897
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 1461212) is 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3CC(C)C)c1.
What is the InChIKey of 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is YGBSKQANPMTORI-YQQQUEKLSA-N. The full InChI is InChI=1S/C20H30N2O/c1-14(2)13-22-18-8-5-9-19(22)12-17(11-18)21-20(23)16-7-4-6-15(3)10-16/h4,6-7,10,14,17-19H,5,8-9,11-13H2,1-3H3,(H,21,23)/t17?,18-,19+.
What are the key properties of 3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 314.47 g/mol, XLogP of 3.77, 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,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 1461212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).