1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C20H27N3O2 — CID 113184900

IUPAC1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H27N3O2/c1-14(2)7-9-21-20(25)16-11-19(24)23(13-16)10-8-15-12-22-18-6-4-3-5-17(15)18/h3-6,12,14,16,22H,7-11,13H2,1-2H3,(H,21,25)
InChIKeyLRINKOIRVZRRHD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.72
Rot. Bonds7

About 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113184900) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113184900
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H27N3O2/c1-14(2)7-9-21-20(25)16-11-19(24)23(13-16)10-8-15-12-22-18-6-4-3-5-17(15)18/h3-6,12,14,16,22H,7-11,13H2,1-2H3,(H,21,25)
InChIKeyLRINKOIRVZRRHD-UHFFFAOYSA-N
XLogP2.72
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
N-(2,3-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184916
(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42562425
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184948
1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 17081606
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 113184900) is 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CC(=O)N(CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LRINKOIRVZRRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)7-9-21-20(25)16-11-19(24)23(13-16)10-8-15-12-22-18-6-4-3-5-17(15)18/h3-6,12,14,16,22H,7-11,13H2,1-2H3,(H,21,25).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).