3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide

C20H26N2O — CID 14809267

IUPAC3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide
SMILESCN1C2CCC1CC(NC(=O)C1=CC(C)(C)c3ccccc31)C2
InChIInChI=1S/C20H26N2O/c1-20(2)12-17(16-6-4-5-7-18(16)20)19(23)21-13-10-14-8-9-15(11-13)22(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,21,23)
InChIKeyPFYLHOOORSLBIS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.10
Rot. Bonds2

About 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide

3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide (PubChem CID 14809267) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide
PubChem CID14809267
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide
SMILESCN1C2CCC1CC(NC(=O)C1=CC(C)(C)c3ccccc31)C2
InChIInChI=1S/C20H26N2O/c1-20(2)12-17(16-6-4-5-7-18(16)20)19(23)21-13-10-14-8-9-15(11-13)22(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,21,23)
InChIKeyPFYLHOOORSLBIS-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide (CID 14809267) is 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide is CN1C2CCC1CC(NC(=O)C1=CC(C)(C)c3ccccc31)C2.
What is the InChIKey of 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide?
The InChIKey is PFYLHOOORSLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2)12-17(16-6-4-5-7-18(16)20)19(23)21-13-10-14-8-9-15(11-13)22(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,21,23).
What are the key properties of 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide?
3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indene-1-carboxamide is sourced from PubChem (CID 14809267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).