3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C25H24N2O5 — CID 18403564

IUPAC3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3ccc(OCC4COC(C)(C)O4)cc3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H24N2O5/c1-25(2)31-14-17(32-25)13-30-16-10-8-15(9-11-16)21-22(24(29)26-23(21)28)19-12-27(3)20-7-5-4-6-18(19)20/h4-12,17H,13-14H2,1-3H3,(H,26,28,29)
InChIKeyYJFCFVAJDZGTAC-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.28
Rot. Bonds5

About 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 18403564) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID18403564
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3ccc(OCC4COC(C)(C)O4)cc3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H24N2O5/c1-25(2)31-14-17(32-25)13-30-16-10-8-15(9-11-16)21-22(24(29)26-23(21)28)19-12-27(3)20-7-5-4-6-18(19)20/h4-12,17H,13-14H2,1-3H3,(H,26,28,29)
InChIKeyYJFCFVAJDZGTAC-UHFFFAOYSA-N
XLogP3.28
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
3-(7-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327692
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324
3-(3-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327709
3,4-bis(6-methoxy-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5330715
Maleimide derivative, 9
CID 44263382
3-[5-(benzyloxy)-1-methyl-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327675
3-(6-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327685
3-(4-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327696
N-(2-ethoxybenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 4429356
3-(1-ethyl-1H-indol-3-yl)-N-(2-methoxybenzyl)propanamide
CID 16019095

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 18403564) is 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3ccc(OCC4COC(C)(C)O4)cc3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is YJFCFVAJDZGTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-25(2)31-14-17(32-25)13-30-16-10-8-15(9-11-16)21-22(24(29)26-23(21)28)19-12-27(3)20-7-5-4-6-18(19)20/h4-12,17H,13-14H2,1-3H3,(H,26,28,29).
What are the key properties of 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 432.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 18403564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).