N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide

C22H29N3O2 — CID 54246048

IUPACN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1
InChIInChI=1S/C22H29N3O2/c1-2-27-12-4-6-22(26)24-17-7-8-21-19(14-17)20(15-23-21)16-9-11-25-10-3-5-18(25)13-16/h7-9,14-15,18,23H,2-6,10-13H2,1H3,(H,24,26)
InChIKeyQTINKUCGVHEMEE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.17
Rot. Bonds7

About N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide

N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide (PubChem CID 54246048) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide
PubChem CID54246048
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1
InChIInChI=1S/C22H29N3O2/c1-2-27-12-4-6-22(26)24-17-7-8-21-19(14-17)20(15-23-21)16-9-11-25-10-3-5-18(25)13-16/h7-9,14-15,18,23H,2-6,10-13H2,1H3,(H,24,26)
InChIKeyQTINKUCGVHEMEE-UHFFFAOYSA-N
XLogP4.17
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.17
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

N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
CID 15389763
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1-butyl-1-phenylurea
CID 54394024
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1,1-diphenylthiourea
CID 57305851
N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide
CID 67570935
1-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-3-(2,4-diiodophenyl)thiourea
CID 54427163
[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone
CID 20585154
but-2-enedioic acid;N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propanamide
CID 70105932
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,1-dipropylurea
CID 67570374
3-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-butyl-1-propylurea
CID 67570741
1-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-(4-bromo-3-chlorophenyl)urea
CID 67570700
N-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]-4-phenylbutanamide
CID 67676211
[(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate
CID 19710031

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide?
The IUPAC name of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide (CID 54246048) is N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide.
What is the SMILES notation for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide?
The canonical SMILES for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide is CCOCCCC(=O)Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1.
What is the InChIKey of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide?
The InChIKey is QTINKUCGVHEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-27-12-4-6-22(26)24-17-7-8-21-19(14-17)20(15-23-21)16-9-11-25-10-3-5-18(25)13-16/h7-9,14-15,18,23H,2-6,10-13H2,1H3,(H,24,26).
What are the key properties of N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide?
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide has a molecular weight of 367.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide is sourced from PubChem (CID 54246048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).