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

C20H30N2O2 — CID 1461516

IUPAC4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[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)/t16?,17-,18+
InChIKeyPBCQKZIFAISVHM-AYHJJNSGSA-N
MW330.47 g/mol
LogP3.61
Rot. Bonds6

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

4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (PubChem CID 1461516) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
PubChem CID1461516
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
SMILESCCCN1[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)/t16?,17-,18+
InChIKeyPBCQKZIFAISVHM-AYHJJNSGSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
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
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
4-ethoxy-N-[(1R,5S)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]benzamide
CID 11902294
(1R,5S)-3-[(4-ethoxybenzoyl)amino]-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 51686409
3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461469
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide (CID 1461516) is 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is CCCN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(OCC)cc1)C2.
What is the InChIKey of 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
The InChIKey is PBCQKZIFAISVHM-AYHJJNSGSA-N. 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)/t16?,17-,18+.
What are the key properties of 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide?
4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide has a molecular weight of 330.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide is sourced from PubChem (CID 1461516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).