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

C23H37N3O — CID 119885767

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide
SMILESCCC(CC)(CNC(=O)CC1CC2CCC(C1)N2)NC(C)c1ccccc1
InChIInChI=1S/C23H37N3O/c1-4-23(5-2,26-17(3)19-9-7-6-8-10-19)16-24-22(27)15-18-13-20-11-12-21(14-18)25-20/h6-10,17-18,20-21,25-26H,4-5,11-16H2,1-3H3,(H,24,27)
InChIKeyVNLNWJQEWFZTOF-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.93
Rot. Bonds9

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide (PubChem CID 119885767) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide
PubChem CID119885767
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide
SMILESCCC(CC)(CNC(=O)CC1CC2CCC(C1)N2)NC(C)c1ccccc1
InChIInChI=1S/C23H37N3O/c1-4-23(5-2,26-17(3)19-9-7-6-8-10-19)16-24-22(27)15-18-13-20-11-12-21(14-18)25-20/h6-10,17-18,20-21,25-26H,4-5,11-16H2,1-3H3,(H,24,27)
InChIKeyVNLNWJQEWFZTOF-UHFFFAOYSA-N
XLogP3.93
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(diethylamino)-2-phenylethyl]acetamide
CID 119399224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119794353
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
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-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756888
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119769273
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
CID 119734644
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
CID 119766335

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide (CID 119885767) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide is CCC(CC)(CNC(=O)CC1CC2CCC(C1)N2)NC(C)c1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide?
The InChIKey is VNLNWJQEWFZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-4-23(5-2,26-17(3)19-9-7-6-8-10-19)16-24-22(27)15-18-13-20-11-12-21(14-18)25-20/h6-10,17-18,20-21,25-26H,4-5,11-16H2,1-3H3,(H,24,27).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide has a molecular weight of 371.57 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide is sourced from PubChem (CID 119885767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).