4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

C22H34N2O — CID 3217980

IUPAC4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C22H34N2O/c1-5-13-24-19-7-6-8-20(24)15-18(14-19)23-21(25)16-9-11-17(12-10-16)22(2,3)4/h9-12,18-20H,5-8,13-15H2,1-4H3,(H,23,25)
InChIKeyOFKUSYBRPXZRKU-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.51
Rot. Bonds4

About 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (PubChem CID 3217980) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
PubChem CID3217980
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCCCN1C2CCCC1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C22H34N2O/c1-5-13-24-19-7-6-8-20(24)15-18(14-19)23-21(25)16-9-11-17(12-10-16)22(2,3)4/h9-12,18-20H,5-8,13-15H2,1-4H3,(H,23,25)
InChIKeyOFKUSYBRPXZRKU-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461516
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-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025
(E)-3-phenyl-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]prop-2-enamide
CID 7403091
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
1-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 1461381
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (CID 3217980) is 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is CCCN1C2CCCC1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2.
What is the InChIKey of 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The InChIKey is OFKUSYBRPXZRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-5-13-24-19-7-6-8-20(24)15-18(14-19)23-21(25)16-9-11-17(12-10-16)22(2,3)4/h9-12,18-20H,5-8,13-15H2,1-4H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide has a molecular weight of 342.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is sourced from PubChem (CID 3217980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).