3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C33H32N4O4 — CID 22409711

IUPAC3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C33H32N4O4/c1-36(2)17-23(40-3)18-37-19-27(25-14-13-22(15-29(25)37)41-20-21-9-5-4-6-10-21)31-30(32(38)35-33(31)39)26-16-34-28-12-8-7-11-24(26)28/h4-16,19,23,34H,17-18,20H2,1-3H3,(H,35,38,39)
InChIKeyFGXLBIAJRBPRIT-UHFFFAOYSA-N
MW548.64 g/mol
LogP4.85
Rot. Bonds10

About 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409711) has the molecular formula C33H32N4O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409711
Molecular FormulaC33H32N4O4
Molecular Weight548.64 g/mol
Exact Mass548.24
IUPAC Name3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C33H32N4O4/c1-36(2)17-23(40-3)18-37-19-27(25-14-13-22(15-29(25)37)41-20-21-9-5-4-6-10-21)31-30(32(38)35-33(31)39)26-16-34-28-12-8-7-11-24(26)28/h4-16,19,23,34H,17-18,20H2,1-3H3,(H,35,38,39)
InChIKeyFGXLBIAJRBPRIT-UHFFFAOYSA-N
XLogP4.85
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409711) is 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is COC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is FGXLBIAJRBPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O4/c1-36(2)17-23(40-3)18-37-19-27(25-14-13-22(15-29(25)37)41-20-21-9-5-4-6-10-21)31-30(32(38)35-33(31)39)26-16-34-28-12-8-7-11-24(26)28/h4-16,19,23,34H,17-18,20H2,1-3H3,(H,35,38,39).
What are the key properties of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 548.64 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).