2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride

C21H33ClN2O — CID 119755784

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-15(14-21(2,3)17-7-5-4-6-8-17)22-20(24)13-16-11-18-9-10-19(12-16)23-18;/h4-8,15-16,18-19,23H,9-14H2,1-3H3,(H,22,24);1H
InChIKeyVXTSPXGFQNGOSA-UHFFFAOYSA-N
MW364.96 g/mol
LogP4.20
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride (PubChem CID 119755784) has the molecular formula C21H33ClN2O and a molecular weight of 364.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
PubChem CID119755784
Molecular FormulaC21H33ClN2O
Molecular Weight364.96 g/mol
Exact Mass364.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-15(14-21(2,3)17-7-5-4-6-8-17)22-20(24)13-16-11-18-9-10-19(12-16)23-18;/h4-8,15-16,18-19,23H,9-14H2,1-3H3,(H,22,24);1H
InChIKeyVXTSPXGFQNGOSA-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.96
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
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CID 50875407
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
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
CID 119766335
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 79609850

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride (CID 119755784) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride is CC(CC(C)(C)c1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride?
The InChIKey is VXTSPXGFQNGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O.ClH/c1-15(14-21(2,3)17-7-5-4-6-8-17)22-20(24)13-16-11-18-9-10-19(12-16)23-18;/h4-8,15-16,18-19,23H,9-14H2,1-3H3,(H,22,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride has a molecular weight of 364.96 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 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-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119755784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).