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

C16H22N2O — CID 19582706

IUPAC3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H22N2O/c1-11-4-3-5-12(8-11)16(19)17-13-9-14-6-7-15(10-13)18(14)2/h3-5,8,13-15H,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyBRJHKFWVSHVRND-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.35
Rot. Bonds2

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

3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide (PubChem CID 19582706) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
PubChem CID19582706
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H22N2O/c1-11-4-3-5-12(8-11)16(19)17-13-9-14-6-7-15(10-13)18(14)2/h3-5,8,13-15H,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyBRJHKFWVSHVRND-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide?
The IUPAC name of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide (CID 19582706) is 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide?
The canonical SMILES for 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide is Cc1cccc(C(=O)NC2CC3CCC(C2)N3C)c1.
What is the InChIKey of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide?
The InChIKey is BRJHKFWVSHVRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-4-3-5-12(8-11)16(19)17-13-9-14-6-7-15(10-13)18(14)2/h3-5,8,13-15H,6-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide?
3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide has a molecular weight of 258.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide is sourced from PubChem (CID 19582706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).