N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide

C22H32N2O2 — CID 1461660

IUPACN-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C2CCCCC2)c1
InChIInChI=1S/C22H32N2O2/c1-26-21-12-5-7-16(13-21)22(25)23-17-14-19-10-6-11-20(15-17)24(19)18-8-3-2-4-9-18/h5,7,12-13,17-20H,2-4,6,8-11,14-15H2,1H3,(H,23,25)/t17?,19-,20+
InChIKeyMVAGVQDHJKYVKA-CTXDPNEZSA-N
MW356.51 g/mol
LogP4.14
Rot. Bonds4

About N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide

N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide (PubChem CID 1461660) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
PubChem CID1461660
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C2CCCCC2)c1
InChIInChI=1S/C22H32N2O2/c1-26-21-12-5-7-16(13-21)22(25)23-17-14-19-10-6-11-20(15-17)24(19)18-8-3-2-4-9-18/h5,7,12-13,17-20H,2-4,6,8-11,14-15H2,1H3,(H,23,25)/t17?,19-,20+
InChIKeyMVAGVQDHJKYVKA-CTXDPNEZSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461300
(1S,5R)-3-[(3-methoxybenzoyl)amino]-N-phenyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467241
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691
(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403544
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
1-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 1461544
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide (CID 1461660) is N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C2CCCCC2)c1.
What is the InChIKey of N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
The InChIKey is MVAGVQDHJKYVKA-CTXDPNEZSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-26-21-12-5-7-16(13-21)22(25)23-17-14-19-10-6-11-20(15-17)24(19)18-8-3-2-4-9-18/h5,7,12-13,17-20H,2-4,6,8-11,14-15H2,1H3,(H,23,25)/t17?,19-,20+.
What are the key properties of N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide has a molecular weight of 356.51 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 1461660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).