1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione

C22H21N3O2 — CID 155523792

IUPAC1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione
SMILESCN1C(=O)C(NCCc2ccccc2)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C22H21N3O2/c1-24-14-17(16-10-6-7-11-18(16)24)19-20(22(27)25(2)21(19)26)23-13-12-15-8-4-3-5-9-15/h3-11,14,23H,12-13H2,1-2H3
InChIKeyYDLDMSMAEOGQOF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.72
Rot. Bonds5

About 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione

1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione (PubChem CID 155523792) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione
PubChem CID155523792
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione
SMILESCN1C(=O)C(NCCc2ccccc2)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C22H21N3O2/c1-24-14-17(16-10-6-7-11-18(16)24)19-20(22(27)25(2)21(19)26)23-13-12-15-8-4-3-5-9-15/h3-11,14,23H,12-13H2,1-2H3
InChIKeyYDLDMSMAEOGQOF-UHFFFAOYSA-N
XLogP2.72
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylindol-3-yl)-4-(propylamino)-1-tridecylpyrrole-2,5-dione
CID 155522493
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
CID 148910370
3-[2-(4-chlorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 52943486
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
3,4-bis[1-(2-chloroethyl)indol-3-yl]-1-methylpyrrole-2,5-dione
CID 23529129
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 122233504
3-benzyl-1-methylquinolin-4-one
CID 10988673
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
CID 2791448

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione (CID 155523792) is 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione is CN1C(=O)C(NCCc2ccccc2)=C(c2cn(C)c3ccccc23)C1=O.
What is the InChIKey of 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
The InChIKey is YDLDMSMAEOGQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-24-14-17(16-10-6-7-11-18(16)24)19-20(22(27)25(2)21(19)26)23-13-12-15-8-4-3-5-9-15/h3-11,14,23H,12-13H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione has a molecular weight of 359.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-3-yl)-4-(2-phenylethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 155523792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).