2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide

C20H30N2O — CID 119757001

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
SMILESCc1cccc(C(C)(C)CNC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C20H30N2O/c1-14-5-4-6-16(9-14)20(2,3)13-21-19(23)12-15-10-17-7-8-18(11-15)22-17/h4-6,9,15,17-18,22H,7-8,10-13H2,1-3H3,(H,21,23)
InChIKeyXHHBRJOFVYJSGP-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.31
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide (PubChem CID 119757001) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
PubChem CID119757001
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
SMILESCc1cccc(C(C)(C)CNC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C20H30N2O/c1-14-5-4-6-16(9-14)20(2,3)13-21-19(23)12-15-10-17-7-8-18(11-15)22-17/h4-6,9,15,17-18,22H,7-8,10-13H2,1-3H3,(H,21,23)
InChIKeyXHHBRJOFVYJSGP-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-isopropenylphenyl)-(2S,3S)-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone
CID 9925806
beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
CID 25271577
1-[3-(4-vinylphenyl)-(2S,3S)-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone
CID 44384512
1-[3-(4-Isopropenyl-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 18756305
3-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanamide
CID 44233188
3-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanamide iodide
CID 44233929
1-[3-(4-Vinyl-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 44320007
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6469553
cis-(1S,2R)-2-[(1S)-1-aminopropyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 9925538
1-[3-(4-Isopropyl-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 9947777
Rac-8-[1-(2-methyl-propenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11245541

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide (CID 119757001) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide is Cc1cccc(C(C)(C)CNC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide?
The InChIKey is XHHBRJOFVYJSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-14-5-4-6-16(9-14)20(2,3)13-21-19(23)12-15-10-17-7-8-18(11-15)22-17/h4-6,9,15,17-18,22H,7-8,10-13H2,1-3H3,(H,21,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide has a molecular weight of 314.47 g/mol, XLogP of 3.31, 5 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-[2-methyl-2-(3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 119757001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).