(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide

C21H23N3O2 — CID 7513834

IUPAC(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-14-7-9-18(10-8-14)23-13-17(12-20(23)25)22-21(26)24-15(2)11-16-5-3-4-6-19(16)24/h3-10,15,17H,11-13H2,1-2H3,(H,22,26)/t15-,17+/m1/s1
InChIKeyZEGFETAXOFHOLM-WBVHZDCISA-N
MW349.43 g/mol
LogP3.26
Rot. Bonds2

About (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide

(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 7513834) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID7513834
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-14-7-9-18(10-8-14)23-13-17(12-20(23)25)22-21(26)24-15(2)11-16-5-3-4-6-19(16)24/h3-10,15,17H,11-13H2,1-2H3,(H,22,26)/t15-,17+/m1/s1
InChIKeyZEGFETAXOFHOLM-WBVHZDCISA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7548134
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7549116
(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7543403
(2S)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7215317
(2R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7547287
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
tert-butyl N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 122445967
1-(3,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120998
methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7513661
4-ethyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide
CID 7513687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide (CID 7513834) is (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide is Cc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1.
What is the InChIKey of (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is ZEGFETAXOFHOLM-WBVHZDCISA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-7-9-18(10-8-14)23-13-17(12-20(23)25)22-21(26)24-15(2)11-16-5-3-4-6-19(16)24/h3-10,15,17H,11-13H2,1-2H3,(H,22,26)/t15-,17+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide?
(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 7513834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).