4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide

C20H31N2O2+ — CID 11902294

IUPAC4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCC[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(OCC)cc1)C2
InChIInChI=1S/C20H30N2O2/c1-3-12-22-17-6-5-7-18(22)14-16(13-17)21-20(23)15-8-10-19(11-9-15)24-4-2/h8-11,16-18H,3-7,12-14H2,1-2H3,(H,21,23)/p+1/t16?,17-,18+
InChIKeyPBCQKZIFAISVHM-AYHJJNSGSA-O
MW331.48 g/mol
LogP2.19
Rot. Bonds6

About 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide

4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 11902294) has the molecular formula C20H31N2O2+ and a molecular weight of 331.48 g/mol. Its IUPAC name is 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID11902294
Molecular FormulaC20H31N2O2+
Molecular Weight331.48 g/mol
Exact Mass331.24
IUPAC Name4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCC[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(OCC)cc1)C2
InChIInChI=1S/C20H30N2O2/c1-3-12-22-17-6-5-7-18(22)14-16(13-17)21-20(23)15-8-10-19(11-9-15)24-4-2/h8-11,16-18H,3-7,12-14H2,1-2H3,(H,21,23)/p+1/t16?,17-,18+
InChIKeyPBCQKZIFAISVHM-AYHJJNSGSA-O
XLogP2.19
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-methoxy-N-[(1R,5R)-9-(thiophen-2-ylmethyl)-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide
CID 50938147
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
(1R,5S)-3-[(4-ethoxybenzoyl)amino]-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 51686409
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide (CID 11902294) is 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide is CCC[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(OCC)cc1)C2.
What is the InChIKey of 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is PBCQKZIFAISVHM-AYHJJNSGSA-O. The full InChI is InChI=1S/C20H30N2O2/c1-3-12-22-17-6-5-7-18(22)14-16(13-17)21-20(23)15-8-10-19(11-9-15)24-4-2/h8-11,16-18H,3-7,12-14H2,1-2H3,(H,21,23)/p+1/t16?,17-,18+.
What are the key properties of 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide?
4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 331.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 11902294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).