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

C24H25N3O2 — CID 142701489

IUPAC4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cccc(N)c32)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)18-12-8-16(9-13-18)24(17-10-14-19(15-11-17)27(3)4)22-20(23(28)29-24)6-5-7-21(22)25/h5-15H,25H2,1-4H3
InChIKeyXZXDLHKJXNXLOX-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.86
Rot. Bonds4

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

4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one (PubChem CID 142701489) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one.

Molecular Properties

Compound Name4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
PubChem CID142701489
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cccc(N)c32)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)18-12-8-16(9-13-18)24(17-10-14-19(15-11-17)27(3)4)22-20(23(28)29-24)6-5-7-21(22)25/h5-15H,25H2,1-4H3
InChIKeyXZXDLHKJXNXLOX-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The IUPAC name of 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one (CID 142701489) is 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one.
What is the SMILES notation for 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The canonical SMILES for 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one is CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cccc(N)c32)cc1.
What is the InChIKey of 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
The InChIKey is XZXDLHKJXNXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26(2)18-12-8-16(9-13-18)24(17-10-14-19(15-11-17)27(3)4)22-20(23(28)29-24)6-5-7-21(22)25/h5-15H,25H2,1-4H3.
What are the key properties of 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one?
4-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 4-amino-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one is sourced from PubChem (CID 142701489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).