N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride

C24H31ClN2O2 — CID 119456064

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCC(C)c1cccc(OC(C(=O)NC2CC3CCC(C2)N3)c2ccccc2)c1.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-16(2)18-9-6-10-22(13-18)28-23(17-7-4-3-5-8-17)24(27)26-21-14-19-11-12-20(15-21)25-19;/h3-10,13,16,19-21,23,25H,11-12,14-15H2,1-2H3,(H,26,27);1H
InChIKeyADLBBCLZBWXJPH-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.75
Rot. Bonds6

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride (PubChem CID 119456064) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
PubChem CID119456064
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCC(C)c1cccc(OC(C(=O)NC2CC3CCC(C2)N3)c2ccccc2)c1.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-16(2)18-9-6-10-22(13-18)28-23(17-7-4-3-5-8-17)24(27)26-21-14-19-11-12-20(15-21)25-19;/h3-10,13,16,19-21,23,25H,11-12,14-15H2,1-2H3,(H,26,27);1H
InChIKeyADLBBCLZBWXJPH-UHFFFAOYSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenoxy-2-phenylacetamide;hydrochloride
CID 119457115
N-(2-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120601037
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120557297
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenoxy)propanamide
CID 62229825
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
1-[4-(methylamino)piperidin-1-yl]-2-phenyl-2-(3-propan-2-ylphenoxy)ethanone
CID 119560633
N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119500862
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
CID 119455463
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride (CID 119456064) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride is CC(C)c1cccc(OC(C(=O)NC2CC3CCC(C2)N3)c2ccccc2)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride?
The InChIKey is ADLBBCLZBWXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2.ClH/c1-16(2)18-9-6-10-22(13-18)28-23(17-7-4-3-5-8-17)24(27)26-21-14-19-11-12-20(15-21)25-19;/h3-10,13,16,19-21,23,25H,11-12,14-15H2,1-2H3,(H,26,27);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119456064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).