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

C23H25N3O2 — CID 51361539

IUPACN-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-23(22(28)25-15-17-7-3-2-4-8-17)13-11-21(27)26(23)14-12-18-16-24-20-10-6-5-9-19(18)20/h2-10,16,24H,11-15H2,1H3,(H,25,28)
InChIKeyJQKBSOHTAQAMQD-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.41
Rot. Bonds6

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

N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361539) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361539
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c1-23(22(28)25-15-17-7-3-2-4-8-17)13-11-21(27)26(23)14-12-18-16-24-20-10-6-5-9-19(18)20/h2-10,16,24H,11-15H2,1H3,(H,25,28)
InChIKeyJQKBSOHTAQAMQD-UHFFFAOYSA-N
XLogP3.41
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361531
(2R)-N-benzyl-2-methyl-1-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92734431
(2R)-N-benzyl-1-[2-(2-chlorophenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734433
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734417
N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363730
N-[(3-fluorophenyl)methyl]-1-[2-(1H-indol-3-yl)ethyl]-3-methylidene-4-oxo-2-phenylazetidine-2-carboxamide
CID 155663458
(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 92734293

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361539) is N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NCc2ccccc2)CCC(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JQKBSOHTAQAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(22(28)25-15-17-7-3-2-4-8-17)13-11-21(27)26(23)14-12-18-16-24-20-10-6-5-9-19(18)20/h2-10,16,24H,11-15H2,1H3,(H,25,28).
What are the key properties of N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).