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

C22H25N3O2 — CID 7543403

IUPAC(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1C
InChIInChI=1S/C22H25N3O2/c1-14-8-9-19(10-15(14)2)24-13-18(12-21(24)26)23-22(27)25-16(3)11-17-6-4-5-7-20(17)25/h4-10,16,18H,11-13H2,1-3H3,(H,23,27)/t16-,18+/m1/s1
InChIKeyGHCMEXDUTGBKEO-AEFFLSMTSA-N
MW363.46 g/mol
LogP3.57
Rot. Bonds2

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

(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 7543403) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID7543403
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1C
InChIInChI=1S/C22H25N3O2/c1-14-8-9-19(10-15(14)2)24-13-18(12-21(24)26)23-22(27)25-16(3)11-17-6-4-5-7-20(17)25/h4-10,16,18H,11-13H2,1-3H3,(H,23,27)/t16-,18+/m1/s1
InChIKeyGHCMEXDUTGBKEO-AEFFLSMTSA-N
XLogP3.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7513834
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7549116
(2S)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7548134
(2R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7547287
(2S)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7215317
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7543396
4-(2-chlorophenyl)-N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 16812468
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7543031
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
CID 43969528
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-formylpiperazine-1-carboxamide
CID 7543749

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 7543403) is (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is Cc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1C.
What is the InChIKey of (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is GHCMEXDUTGBKEO-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-8-9-19(10-15(14)2)24-13-18(12-21(24)26)23-22(27)25-16(3)11-17-6-4-5-7-20(17)25/h4-10,16,18H,11-13H2,1-3H3,(H,23,27)/t16-,18+/m1/s1.
What are the key properties of (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide?
(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 7543403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).