2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide

C21H29N3O2 — CID 119784094

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H29N3O2/c25-20(14-15-12-17-7-8-18(13-15)23-17)22-10-3-6-21(26)24-11-9-16-4-1-2-5-19(16)24/h1-2,4-5,15,17-18,23H,3,6-14H2,(H,22,25)
InChIKeyARMCDGFLGCXPIQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.39
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide (PubChem CID 119784094) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
PubChem CID119784094
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H29N3O2/c25-20(14-15-12-17-7-8-18(13-15)23-17)22-10-3-6-21(26)24-11-9-16-4-1-2-5-19(16)24/h1-2,4-5,15,17-18,23H,3,6-14H2,(H,22,25)
InChIKeyARMCDGFLGCXPIQ-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride
CID 119769061
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]cyclohexane-1-carboxamide
CID 119323918
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119669639
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(benzenesulfonyl)propyl]acetamide
CID 119755174
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111560381
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111829684
1-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-propan-2-ylguanidine
CID 111827403

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide (CID 119784094) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCCCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
The InChIKey is ARMCDGFLGCXPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(14-15-12-17-7-8-18(13-15)23-17)22-10-3-6-21(26)24-11-9-16-4-1-2-5-19(16)24/h1-2,4-5,15,17-18,23H,3,6-14H2,(H,22,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide is sourced from PubChem (CID 119784094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).