13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide

C17H28N2O — CID 101053879

IUPAC13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide
SMILESCN1C=C2CCCCCCCCCCC1=C(C(N)=O)C2
InChIInChI=1S/C17H28N2O/c1-19-13-14-10-8-6-4-2-3-5-7-9-11-16(19)15(12-14)17(18)20/h13H,2-12H2,1H3,(H2,18,20)
InChIKeyLWHFBAHLLGXTMO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.86
Rot. Bonds1

About 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide

13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide (PubChem CID 101053879) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide.

Molecular Properties

Compound Name13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide
PubChem CID101053879
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide
SMILESCN1C=C2CCCCCCCCCCC1=C(C(N)=O)C2
InChIInChI=1S/C17H28N2O/c1-19-13-14-10-8-6-4-2-3-5-7-9-11-16(19)15(12-14)17(18)20/h13H,2-12H2,1H3,(H2,18,20)
InChIKeyLWHFBAHLLGXTMO-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide?
The IUPAC name of 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide (CID 101053879) is 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide.
What is the SMILES notation for 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide?
The canonical SMILES for 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide is CN1C=C2CCCCCCCCCCC1=C(C(N)=O)C2.
What is the InChIKey of 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide?
The InChIKey is LWHFBAHLLGXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19-13-14-10-8-6-4-2-3-5-7-9-11-16(19)15(12-14)17(18)20/h13H,2-12H2,1H3,(H2,18,20).
What are the key properties of 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide?
13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-13-azabicyclo[10.2.2]hexadeca-1(14),12(16)-diene-16-carboxamide is sourced from PubChem (CID 101053879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).