4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione

C27H27N3O5 — CID 4023603

IUPAC4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCN1C(=O)C2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21
InChIInChI=1S/C27H27N3O5/c1-4-29-19-12-7-6-11-18(19)27(26(29)34)22(24(32)25(33)30(27)15-9-14-28(2)3)23(31)21-16-17-10-5-8-13-20(17)35-21/h5-8,10-13,16,32H,4,9,14-15H2,1-3H3
InChIKeyXPGMWLDIOGQWAO-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.48
Rot. Bonds7

About 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione

4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 4023603) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione
PubChem CID4023603
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCN1C(=O)C2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21
InChIInChI=1S/C27H27N3O5/c1-4-29-19-12-7-6-11-18(19)27(26(29)34)22(24(32)25(33)30(27)15-9-14-28(2)3)23(31)21-16-17-10-5-8-13-20(17)35-21/h5-8,10-13,16,32H,4,9,14-15H2,1-3H3
InChIKeyXPGMWLDIOGQWAO-UHFFFAOYSA-N
XLogP3.48
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione (CID 4023603) is 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione is CCN1C(=O)C2(C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21.
What is the InChIKey of 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is XPGMWLDIOGQWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-4-29-19-12-7-6-11-18(19)27(26(29)34)22(24(32)25(33)30(27)15-9-14-28(2)3)23(31)21-16-17-10-5-8-13-20(17)35-21/h5-8,10-13,16,32H,4,9,14-15H2,1-3H3.
What are the key properties of 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione?
4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 473.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 4023603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).