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

C17H24N2O — CID 139083931

IUPAC4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)cc1
InChIInChI=1S/C17H24N2O/c1-12-6-8-13(9-7-12)17(20)18-14-10-15-4-3-5-16(11-14)19(15)2/h6-9,14-16H,3-5,10-11H2,1-2H3,(H,18,20)/t14?,15-,16+
InChIKeyYHDXETIZUJUJGP-MQVJKMGUSA-N
MW272.39 g/mol
LogP2.74
Rot. Bonds2

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

4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 139083931) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID139083931
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)cc1
InChIInChI=1S/C17H24N2O/c1-12-6-8-13(9-7-12)17(20)18-14-10-15-4-3-5-16(11-14)19(15)2/h6-9,14-16H,3-5,10-11H2,1-2H3,(H,18,20)/t14?,15-,16+
InChIKeyYHDXETIZUJUJGP-MQVJKMGUSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
4-methyl-N-[(1S,5R)-9-(2-methylpropylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 7403632
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 3217980
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 139083931) is 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)cc1.
What is the InChIKey of 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is YHDXETIZUJUJGP-MQVJKMGUSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-6-8-13(9-7-12)17(20)18-14-10-15-4-3-5-16(11-14)19(15)2/h6-9,14-16H,3-5,10-11H2,1-2H3,(H,18,20)/t14?,15-,16+.
What are the key properties of 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 272.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 139083931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).