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

C24H24N2O2 — CID 21244010

IUPAC3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCN(C)c1ccccc1C1(c2ccccc2N(C)C)OC(=O)c2ccccc21
InChIInChI=1S/C24H24N2O2/c1-25(2)21-15-9-7-13-19(21)24(20-14-8-10-16-22(20)26(3)4)18-12-6-5-11-17(18)23(27)28-24/h5-16H,1-4H3
InChIKeyNAKMKLYHFOJILX-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.28
Rot. Bonds4

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

3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one (PubChem CID 21244010) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
PubChem CID21244010
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
SMILESCN(C)c1ccccc1C1(c2ccccc2N(C)C)OC(=O)c2ccccc21
InChIInChI=1S/C24H24N2O2/c1-25(2)21-15-9-7-13-19(21)24(20-14-8-10-16-22(20)26(3)4)18-12-6-5-11-17(18)23(27)28-24/h5-16H,1-4H3
InChIKeyNAKMKLYHFOJILX-UHFFFAOYSA-N
XLogP4.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,4-bis(dimethylamino)phenyl]-3-[4-(dimethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 101140245
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
CID 175876286
CID 175876286
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
3-[2,4-bis(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 20523540
1'-[N-chloro-3-(dimethylamino)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139686991
3,3-bis(4-hydroxy-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 22946616
3,3-bis(4-amino-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 70116020
3,3-bis(2-amino-3,4-dimethylphenyl)-2-benzofuran-1-one
CID 21226353
3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 19829084
6'-(dimethylamino)-N,N-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-amine oxide
CID 126580660
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one?
The IUPAC name of 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one (CID 21244010) is 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one is CN(C)c1ccccc1C1(c2ccccc2N(C)C)OC(=O)c2ccccc21.
What is the InChIKey of 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one?
The InChIKey is NAKMKLYHFOJILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-25(2)21-15-9-7-13-19(21)24(20-14-8-10-16-22(20)26(3)4)18-12-6-5-11-17(18)23(27)28-24/h5-16H,1-4H3.
What are the key properties of 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one?
3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one has a molecular weight of 372.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one is sourced from PubChem (CID 21244010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).