8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide

C16H22N2O — CID 18623852

IUPAC8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCc1ccc(C2CC3CCC(C2C(N)=O)N3C)cc1
InChIInChI=1S/C16H22N2O/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(18(12)2)15(13)16(17)19/h3-6,12-15H,7-9H2,1-2H3,(H2,17,19)
InChIKeyJUCKUCRGESCGCX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.05
Rot. Bonds2

About 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide

8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 18623852) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide
PubChem CID18623852
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide
SMILESCc1ccc(C2CC3CCC(C2C(N)=O)N3C)cc1
InChIInChI=1S/C16H22N2O/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(18(12)2)15(13)16(17)19/h3-6,12-15H,7-9H2,1-2H3,(H2,17,19)
InChIKeyJUCKUCRGESCGCX-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide (CID 18623852) is 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide is Cc1ccc(C2CC3CCC(C2C(N)=O)N3C)cc1.
What is the InChIKey of 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is JUCKUCRGESCGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(18(12)2)15(13)16(17)19/h3-6,12-15H,7-9H2,1-2H3,(H2,17,19).
What are the key properties of 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide?
8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 18623852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).