(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione

C23H23N3O5 — CID 7335769

IUPAC(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1
InChIInChI=1S/C23H23N3O5/c1-29-16-3-4-18-17(11-16)14(13-25-18)6-7-24-19-12-22(27)26(23(19)28)15-2-5-20-21(10-15)31-9-8-30-20/h2-5,10-11,13,19,24-25H,6-9,12H2,1H3/t19-/m0/s1
InChIKeyRYYAKJWQLRWILU-IBGZPJMESA-N
MW421.45 g/mol
LogP2.41
Rot. Bonds6

About (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione

(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 7335769) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID7335769
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1
InChIInChI=1S/C23H23N3O5/c1-29-16-3-4-18-17(11-16)14(13-25-18)6-7-24-19-12-22(27)26(23(19)28)15-2-5-20-21(10-15)31-9-8-30-20/h2-5,10-11,13,19,24-25H,6-9,12H2,1H3/t19-/m0/s1
InChIKeyRYYAKJWQLRWILU-IBGZPJMESA-N
XLogP2.41
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874251
(3R)-1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7335759
3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid
CID 90485752
1-(3-methoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874263
(3R)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 40520421
ethyl 4-[(3S)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27892820
1-(5-chloro-2-methylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874247
(3S)-1-(4-bromophenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 40818428
(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 27892840
N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 124542495
(3R)-1-(3-chloro-4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7357869
(3R)-1-(3,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7647709

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione (CID 7335769) is (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione is COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is RYYAKJWQLRWILU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N3O5/c1-29-16-3-4-18-17(11-16)14(13-25-18)6-7-24-19-12-22(27)26(23(19)28)15-2-5-20-21(10-15)31-9-8-30-20/h2-5,10-11,13,19,24-25H,6-9,12H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 421.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 7335769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).