6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one

C24H25N3O2 — CID 3849713

IUPAC6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N)ccc32)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)19-10-5-16(6-11-19)24(17-7-12-20(13-8-17)27(3)4)22-14-9-18(25)15-21(22)23(28)29-24/h5-15H,25H2,1-4H3
InChIKeyJJTXQNPQIWNFFS-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.86
Rot. Bonds4

About 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one

6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one (PubChem CID 3849713) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one.

Molecular Properties

Compound Name6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
PubChem CID3849713
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N)ccc32)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)19-10-5-16(6-11-19)24(17-7-12-20(13-8-17)27(3)4)22-14-9-18(25)15-21(22)23(28)29-24/h5-15H,25H2,1-4H3
InChIKeyJJTXQNPQIWNFFS-UHFFFAOYSA-N
XLogP3.86
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The IUPAC name of 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one (CID 3849713) is 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one.
What is the SMILES notation for 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The canonical SMILES for 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one is CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N)ccc32)cc1.
What is the InChIKey of 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The InChIKey is JJTXQNPQIWNFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26(2)19-10-5-16(6-11-19)24(17-7-12-20(13-8-17)27(3)4)22-14-9-18(25)15-21(22)23(28)29-24/h5-15H,25H2,1-4H3.
What are the key properties of 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one has a molecular weight of 387.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one is sourced from PubChem (CID 3849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).