N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C17H24N2O — CID 648974

IUPACN-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCC(C1)N2Cc1ccc(C)cc1
InChIInChI=1S/C17H24N2O/c1-12-3-5-14(6-4-12)11-19-16-7-8-17(19)10-15(9-16)18-13(2)20/h3-6,15-17H,7-11H2,1-2H3,(H,18,20)
InChIKeyQJWPKQVLJGKTAQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.63
Rot. Bonds3

About N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 648974) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID648974
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCC(C1)N2Cc1ccc(C)cc1
InChIInChI=1S/C17H24N2O/c1-12-3-5-14(6-4-12)11-19-16-7-8-17(19)10-15(9-16)18-13(2)20/h3-6,15-17H,7-11H2,1-2H3,(H,18,20)
InChIKeyQJWPKQVLJGKTAQ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
Simufilam
CID 46195331
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 5136453
4-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)benzamide
CID 5241645
N-(1-phenylethyl)-2-(pyrrolidin-1-yl)acetamide
CID 17379650
3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)benzamide
CID 19582706

Frequently Asked Questions

What is the IUPAC name of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 648974) is N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CC(=O)NC1CC2CCC(C1)N2Cc1ccc(C)cc1.
What is the InChIKey of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is QJWPKQVLJGKTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-3-5-14(6-4-12)11-19-16-7-8-17(19)10-15(9-16)18-13(2)20/h3-6,15-17H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 648974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).