4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

C29H23NO3 — CID 70408754

IUPAC4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccccc1Nc1c(C)ccc2c1C1(OC2=O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H23NO3/c1-3-19-10-4-7-13-23(19)30-27-18(2)16-17-20-26(27)29(33-28(20)31)21-11-5-8-14-24(21)32-25-15-9-6-12-22(25)29/h4-17,30H,3H2,1-2H3
InChIKeyVIWVITMGAZLQOR-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.87
Rot. Bonds3

About 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 70408754) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID70408754
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccccc1Nc1c(C)ccc2c1C1(OC2=O)c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H23NO3/c1-3-19-10-4-7-13-23(19)30-27-18(2)16-17-20-26(27)29(33-28(20)31)21-11-5-8-14-24(21)32-25-15-9-6-12-22(25)29/h4-17,30H,3H2,1-2H3
InChIKeyVIWVITMGAZLQOR-UHFFFAOYSA-N
XLogP6.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139790629
4-(2,5-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408753
4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70425072
2'-(3-ethyl-2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727143
7'-amino-1'-(2-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727183
7'-amino-1'-(2,4-dimethyl-3-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727163
7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727154
1'-(2-ethyl-4-methylanilino)-5'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727144
7-[2-[ethyl(pentyl)amino]-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70451828
4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 23324293
1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727146
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 70408754) is 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is CCc1ccccc1Nc1c(C)ccc2c1C1(OC2=O)c2ccccc2Oc2ccccc21.
What is the InChIKey of 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is VIWVITMGAZLQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c1-3-19-10-4-7-13-23(19)30-27-18(2)16-17-20-26(27)29(33-28(20)31)21-11-5-8-14-24(21)32-25-15-9-6-12-22(25)29/h4-17,30H,3H2,1-2H3.
What are the key properties of 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 433.51 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 70408754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).