N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide

C20H29N3O — CID 139014346

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)C1CC2CCC(C1)N2)N1CCc2ccccc21
InChIInChI=1S/C20H29N3O/c1-14(23-10-9-15-5-3-4-6-19(15)23)11-20(24)22(2)18-12-16-7-8-17(13-18)21-16/h3-6,14,16-18,21H,7-13H2,1-2H3
InChIKeyKFMBAKINKWYVNF-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.57
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide (PubChem CID 139014346) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide
PubChem CID139014346
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)C1CC2CCC(C1)N2)N1CCc2ccccc21
InChIInChI=1S/C20H29N3O/c1-14(23-10-9-15-5-3-4-6-19(15)23)11-20(24)22(2)18-12-16-7-8-17(13-18)21-16/h3-6,14,16-18,21H,7-13H2,1-2H3
InChIKeyKFMBAKINKWYVNF-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide (CID 139014346) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide is CC(CC(=O)N(C)C1CC2CCC(C1)N2)N1CCc2ccccc21.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide?
The InChIKey is KFMBAKINKWYVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14(23-10-9-15-5-3-4-6-19(15)23)11-20(24)22(2)18-12-16-7-8-17(13-18)21-16/h3-6,14,16-18,21H,7-13H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide has a molecular weight of 327.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 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)-3-(2,3-dihydroindol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 139014346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).