3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide

C22H23N3O2 — CID 131909124

IUPAC3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCC(=O)N1c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c1-15-6-13-22(27)25(15)18-10-8-17(9-11-18)24-21(26)12-7-16-14-23-20-5-3-2-4-19(16)20/h2-5,8-11,14-15,23H,6-7,12-13H2,1H3,(H,24,26)
InChIKeyCPMZLTINCRANIE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.25
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 131909124) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID131909124
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCC(=O)N1c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H23N3O2/c1-15-6-13-22(27)25(15)18-10-8-17(9-11-18)24-21(26)12-7-16-14-23-20-5-3-2-4-19(16)20/h2-5,8-11,14-15,23H,6-7,12-13H2,1H3,(H,24,26)
InChIKeyCPMZLTINCRANIE-UHFFFAOYSA-N
XLogP4.25
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008
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CID 27364914
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(1H-indol-3-yl)propanamide
CID 4840684
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
4-(1H-indol-3-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 46680700
2-(1H-indol-3-yl)-N-[4-(3-methylpiperidin-1-yl)phenyl]acetamide
CID 112985524
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
CID 87006855
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide (CID 131909124) is 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide is CC1CCC(=O)N1c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is CPMZLTINCRANIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-13-22(27)25(15)18-10-8-17(9-11-18)24-21(26)12-7-16-14-23-20-5-3-2-4-19(16)20/h2-5,8-11,14-15,23H,6-7,12-13H2,1H3,(H,24,26).
What are the key properties of 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 361.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 131909124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).