2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide

C21H32N2O — CID 119797627

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide
SMILESCCCCN(C(=O)CC1CC2CCC(C1)N2)C(C)c1ccccc1
InChIInChI=1S/C21H32N2O/c1-3-4-12-23(16(2)18-8-6-5-7-9-18)21(24)15-17-13-19-10-11-20(14-17)22-19/h5-9,16-17,19-20,22H,3-4,10-15H2,1-2H3
InChIKeyGAZIWTRCMUORHN-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.30
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide (PubChem CID 119797627) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide
PubChem CID119797627
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide
SMILESCCCCN(C(=O)CC1CC2CCC(C1)N2)C(C)c1ccccc1
InChIInChI=1S/C21H32N2O/c1-3-4-12-23(16(2)18-8-6-5-7-9-18)21(24)15-17-13-19-10-11-20(14-17)22-19/h5-9,16-17,19-20,22H,3-4,10-15H2,1-2H3
InChIKeyGAZIWTRCMUORHN-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(diethylamino)-2-phenylethyl]acetamide
CID 119399224
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
CID 119753319
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide
CID 119885767
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide (CID 119797627) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide is CCCCN(C(=O)CC1CC2CCC(C1)N2)C(C)c1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide?
The InChIKey is GAZIWTRCMUORHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-3-4-12-23(16(2)18-8-6-5-7-9-18)21(24)15-17-13-19-10-11-20(14-17)22-19/h5-9,16-17,19-20,22H,3-4,10-15H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide has a molecular weight of 328.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 119797627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).