N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide

C18H24N2O — CID 139637782

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide
SMILESO=C(Cc1cccc2c1CCC2)NC1CN2CCC1CC2
InChIInChI=1S/C18H24N2O/c21-18(19-17-12-20-9-7-14(17)8-10-20)11-15-5-1-3-13-4-2-6-16(13)15/h1,3,5,14,17H,2,4,6-12H2,(H,19,21)
InChIKeyRTTGFDXXLQXHPO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.93
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide (PubChem CID 139637782) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide
PubChem CID139637782
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide
SMILESO=C(Cc1cccc2c1CCC2)NC1CN2CCC1CC2
InChIInChI=1S/C18H24N2O/c21-18(19-17-12-20-9-7-14(17)8-10-20)11-15-5-1-3-13-4-2-6-16(13)15/h1,3,5,14,17H,2,4,6-12H2,(H,19,21)
InChIKeyRTTGFDXXLQXHPO-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide (CID 139637782) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide is O=C(Cc1cccc2c1CCC2)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide?
The InChIKey is RTTGFDXXLQXHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(19-17-12-20-9-7-14(17)8-10-20)11-15-5-1-3-13-4-2-6-16(13)15/h1,3,5,14,17H,2,4,6-12H2,(H,19,21).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dihydro-1H-inden-4-yl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 1.93, 3 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)-2-(2,3-dihydro-1H-inden-4-yl)acetamide is sourced from PubChem (CID 139637782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).