N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide

C19H26N2O — CID 19769685

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cccc2c1CCCCC2
InChIInChI=1S/C19H26N2O/c22-19(20-18-13-21-11-9-15(18)10-12-21)17-8-4-6-14-5-2-1-3-7-16(14)17/h4,6,8,15,18H,1-3,5,7,9-13H2,(H,20,22)
InChIKeyIKKFONHMDGAXRB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.78
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide (PubChem CID 19769685) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide
PubChem CID19769685
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cccc2c1CCCCC2
InChIInChI=1S/C19H26N2O/c22-19(20-18-13-21-11-9-15(18)10-12-21)17-8-4-6-14-5-2-1-3-7-16(14)17/h4,6,8,15,18H,1-3,5,7,9-13H2,(H,20,22)
InChIKeyIKKFONHMDGAXRB-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-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 N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide (CID 19769685) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide is O=C(NC1CN2CCC1CC2)c1cccc2c1CCCCC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide?
The InChIKey is IKKFONHMDGAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(20-18-13-21-11-9-15(18)10-12-21)17-8-4-6-14-5-2-1-3-7-16(14)17/h4,6,8,15,18H,1-3,5,7,9-13H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxamide is sourced from PubChem (CID 19769685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).