N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

C20H26N2O2 — CID 119455927

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CC2CCC(C1)N2
InChIInChI=1S/C20H26N2O2/c23-19(15-5-4-13-2-1-3-14(13)10-15)8-9-20(24)22-18-11-16-6-7-17(12-18)21-16/h4-5,10,16-18,21H,1-3,6-9,11-12H2,(H,22,24)
InChIKeyVWSBNVFCTSMLHJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.54
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (PubChem CID 119455927) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
PubChem CID119455927
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CC2CCC(C1)N2
InChIInChI=1S/C20H26N2O2/c23-19(15-5-4-13-2-1-3-14(13)10-15)8-9-20(24)22-18-11-16-6-7-17(12-18)21-16/h4-5,10,16-18,21H,1-3,6-9,11-12H2,(H,22,24)
InChIKeyVWSBNVFCTSMLHJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide 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-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide (CID 119455927) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
The InChIKey is VWSBNVFCTSMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(15-5-4-13-2-1-3-14(13)10-15)8-9-20(24)22-18-11-16-6-7-17(12-18)21-16/h4-5,10,16-18,21H,1-3,6-9,11-12H2,(H,22,24).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide has a molecular weight of 326.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide is sourced from PubChem (CID 119455927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).