N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide

C17H24N2O — CID 70655630

IUPACN-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(=O)NC1(C)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C17H24N2O/c1-13(20)18-17(2)15-8-9-16(17)12-19(11-15)10-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,18,20)/t15-,16+,17?
InChIKeyVUKWUPFTTPZMJD-SJPCQFCGSA-N
MW272.39 g/mol
LogP2.42
Rot. Bonds3

About N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide

N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 70655630) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID70655630
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCC(=O)NC1(C)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C17H24N2O/c1-13(20)18-17(2)15-8-9-16(17)12-19(11-15)10-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,18,20)/t15-,16+,17?
InChIKeyVUKWUPFTTPZMJD-SJPCQFCGSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 59134547
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
(5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea
CID 15380949
(1S,5S)-9-amino-3-benzyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98110083
(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol
CID 10969498
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
CID 126511178
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
CID 47003608
2-(4-benzylpiperazin-1-yl)-N-[(1R,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98113866
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 129499579
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 70655630) is N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide is CC(=O)NC1(C)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is VUKWUPFTTPZMJD-SJPCQFCGSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(20)18-17(2)15-8-9-16(17)12-19(11-15)10-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,18,20)/t15-,16+,17?.
What are the key properties of N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 70655630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).