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

C19H26N2O2 — CID 1461300

IUPACN-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)c1
InChIInChI=1S/C19H26N2O2/c1-23-18-7-2-4-13(10-18)19(22)20-14-11-16-5-3-6-17(12-14)21(16)15-8-9-15/h2,4,7,10,14-17H,3,5-6,8-9,11-12H2,1H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyOXKFUNYFSUWJGK-IRXDYDNUSA-N
MW314.43 g/mol
LogP2.97
Rot. Bonds4

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

N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide (PubChem CID 1461300) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
PubChem CID1461300
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)c1
InChIInChI=1S/C19H26N2O2/c1-23-18-7-2-4-13(10-18)19(22)20-14-11-16-5-3-6-17(12-14)21(16)15-8-9-15/h2,4,7,10,14-17H,3,5-6,8-9,11-12H2,1H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyOXKFUNYFSUWJGK-IRXDYDNUSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461660
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 50903491
(1S,5R)-3-[(3-methoxybenzoyl)amino]-N-phenyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467241
1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691
N-cyclopropyl-3-methoxybenzamide
CID 900156
(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
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
CID 45144897
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide (CID 1461300) is N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CC2)c1.
What is the InChIKey of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
The InChIKey is OXKFUNYFSUWJGK-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-18-7-2-4-13(10-18)19(22)20-14-11-16-5-3-6-17(12-14)21(16)15-8-9-15/h2,4,7,10,14-17H,3,5-6,8-9,11-12H2,1H3,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide?
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide has a molecular weight of 314.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 1461300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).