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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Related Compounds

Crystal Violet lactone
CID 73773
Anilinephthalein
CID 68183
3,3-Bis(4-(dimethylamino)phenyl)phthalide
CID 79281
1-Naphthalen-1-yl-3-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)urea
CID 749667
N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-phenylpropanamide
CID 732392
Ethyl 3-({[(3-oxo-1,3-dihydro-2-benzofuran-5-yl)amino]carbonyl}amino)benzoate
CID 2811190
1(3H)-Isobenzofuranone, 6-amino-3,3-bis[4-(dimethylamino)phenyl]-
CID 3849713
1(3H)-Isobenzofuranone, 3-(2,4-bis(dimethylamino)phenyl)-6-(dimethylamino)-3-(4-(dimethylamino)phenyl)-
CID 103693
2-benzyl-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylpentanamide
CID 44402961
2-(4-benzoylphenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)propanamide
CID 145966670
6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-[(2-methylphenyl)methyl]-3H-2-benzofuran-1-one
CID 168275897
3',5,6'-Tris(dimethylamino)-3H-spiro[[2]benzofuran-1,9'-fluoren]-3-one
CID 9909671

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).