N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

C17H24N2O — CID 59134547

IUPACN-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)NC1(C)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-13(20)18-17(2)10-15-8-9-16(11-17)19(15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,18,20)
InChIKeyZUUPRFNWZFXBOU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds3

About N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 59134547) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID59134547
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)NC1(C)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H24N2O/c1-13(20)18-17(2)10-15-8-9-16(11-17)19(15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,18,20)
InChIKeyZUUPRFNWZFXBOU-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630
8-benzyl-8-azabicyclo[3.2.1]octan-3-one;8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159859403
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
9-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936572
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)urea
CID 98109906
3-amino-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936432
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methylprop-2-en-1-one
CID 171938910

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 59134547) is N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is CC(=O)NC1(C)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is ZUUPRFNWZFXBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(20)18-17(2)10-15-8-9-16(11-17)19(15)12-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 59134547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).