N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C20H27N3O2 — CID 100904249

IUPACN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C1Cc2cc(CCCC(=O)N[C@H]3CCN4CCCC[C@@H]34)ccc2N1
InChIInChI=1S/C20H27N3O2/c24-19(22-17-9-11-23-10-2-1-5-18(17)23)6-3-4-14-7-8-16-15(12-14)13-20(25)21-16/h7-8,12,17-18H,1-6,9-11,13H2,(H,21,25)(H,22,24)/t17-,18-/m0/s1
InChIKeyGELWZRBZBBZREB-ROUUACIJSA-N
MW341.45 g/mol
LogP2.25
Rot. Bonds5

About N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 100904249) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID100904249
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C1Cc2cc(CCCC(=O)N[C@H]3CCN4CCCC[C@@H]34)ccc2N1
InChIInChI=1S/C20H27N3O2/c24-19(22-17-9-11-23-10-2-1-5-18(17)23)6-3-4-14-7-8-16-15(12-14)13-20(25)21-16/h7-8,12,17-18H,1-6,9-11,13H2,(H,21,25)(H,22,24)/t17-,18-/m0/s1
InChIKeyGELWZRBZBBZREB-ROUUACIJSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide with MolForge

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 86944935
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125134746
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 94026325
N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 56826481
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119567049

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 100904249) is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is O=C1Cc2cc(CCCC(=O)N[C@H]3CCN4CCCC[C@@H]34)ccc2N1.
What is the InChIKey of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is GELWZRBZBBZREB-ROUUACIJSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(22-17-9-11-23-10-2-1-5-18(17)23)6-3-4-14-7-8-16-15(12-14)13-20(25)21-16/h7-8,12,17-18H,1-6,9-11,13H2,(H,21,25)(H,22,24)/t17-,18-/m0/s1.
What are the key properties of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 341.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 100904249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).