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

C19H28N2O2 — CID 1461459

IUPAC4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(OC)cc1)C2
InChIInChI=1S/C19H28N2O2/c1-3-11-21-16-5-4-6-17(21)13-15(12-16)20-19(22)14-7-9-18(23-2)10-8-14/h7-10,15-17H,3-6,11-13H2,1-2H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyWVBLWCCUEQTIIH-IRXDYDNUSA-N
MW316.44 g/mol
LogP3.22
Rot. Bonds5

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

4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 1461459) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID1461459
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(OC)cc1)C2
InChIInChI=1S/C19H28N2O2/c1-3-11-21-16-5-4-6-17(21)13-15(12-16)20-19(22)14-7-9-18(23-2)10-8-14/h7-10,15-17H,3-6,11-13H2,1-2H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyWVBLWCCUEQTIIH-IRXDYDNUSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461516
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
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461469
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
3,4,5-trimethoxy-N-[(1S,5R)-9-[2-(4-methoxyanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 71768225
2-fluoro-N-[9-[(4-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813940
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
4-butoxy-N-cyclobutylbenzamide
CID 71449411

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 1461459) is 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(OC)cc1)C2.
What is the InChIKey of 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is WVBLWCCUEQTIIH-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-11-21-16-5-4-6-17(21)13-15(12-16)20-19(22)14-7-9-18(23-2)10-8-14/h7-10,15-17H,3-6,11-13H2,1-2H3,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 1461459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).