1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione

C17H19N3O4 — CID 8626165

IUPAC1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O
InChIInChI=1S/C17H19N3O4/c1-3-8-18-15(22)16(23)19(17(18)24)10-14(21)20-11(2)9-12-6-4-5-7-13(12)20/h4-7,11H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyFURHKGIDJBJBOU-NSHDSACASA-N
MW329.36 g/mol
LogP1.16
Rot. Bonds4

About 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione

1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione (PubChem CID 8626165) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
PubChem CID8626165
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O
InChIInChI=1S/C17H19N3O4/c1-3-8-18-15(22)16(23)19(17(18)24)10-14(21)20-11(2)9-12-6-4-5-7-13(12)20/h4-7,11H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyFURHKGIDJBJBOU-NSHDSACASA-N
XLogP1.16
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 8597469
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylethyl]isoindole-1,3-dione
CID 2093701
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4790412
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
(3aR,7aR)-2-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 129419249
3'-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4878925
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2704293

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione (CID 8626165) is 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)C1=O.
What is the InChIKey of 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione?
The InChIKey is FURHKGIDJBJBOU-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-8-18-15(22)16(23)19(17(18)24)10-14(21)20-11(2)9-12-6-4-5-7-13(12)20/h4-7,11H,3,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione?
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione has a molecular weight of 329.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 8626165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).