3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

C32H38N2O3 — CID 18781873

IUPAC3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCCCCCCNc1cccc2c1C(=O)OC21c2ccccc2Oc2cc(N(CC)CC)ccc21
InChIInChI=1S/C32H38N2O3/c1-4-7-8-9-10-13-21-33-27-17-14-16-26-30(27)31(35)37-32(26)24-15-11-12-18-28(24)36-29-22-23(19-20-25(29)32)34(5-2)6-3/h11-12,14-20,22,33H,4-10,13,21H2,1-3H3
InChIKeyAXDNCSGTNLAOSG-UHFFFAOYSA-N
MW498.67 g/mol
LogP7.87
Rot. Bonds11

About 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 18781873) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID18781873
Molecular FormulaC32H38N2O3
Molecular Weight498.67 g/mol
Exact Mass498.29
IUPAC Name3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCCCCCCNc1cccc2c1C(=O)OC21c2ccccc2Oc2cc(N(CC)CC)ccc21
InChIInChI=1S/C32H38N2O3/c1-4-7-8-9-10-13-21-33-27-17-14-16-26-30(27)31(35)37-32(26)24-15-11-12-18-28(24)36-29-22-23(19-20-25(29)32)34(5-2)6-3/h11-12,14-20,22,33H,4-10,13,21H2,1-3H3
InChIKeyAXDNCSGTNLAOSG-UHFFFAOYSA-N
XLogP7.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-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

Related Compounds

7-[2-[ethyl(pentyl)amino]-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70451828
6'-(diethylamino)-2'-(N-octylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704973
5'-chloro-3'-(diethylamino)-7-(1-phenylethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 90389531
7-pentylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 173051424
6'-(diethylamino)-1'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139769566
(3S)-6'-(diethylamino)-2'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 7360871
methyl 2-[[6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]amino]benzoate
CID 15176948
7-bromo-5-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 68970232
4-(hexylamino)-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
CID 173156043
(3S)-2'-(3-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 40737025
2'-anilino-6'-(dioctylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14366034
2'-chloro-6'-[ethyl(octyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139647853

Frequently Asked Questions

What is the IUPAC name of 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 18781873) is 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is CCCCCCCCNc1cccc2c1C(=O)OC21c2ccccc2Oc2cc(N(CC)CC)ccc21.
What is the InChIKey of 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is AXDNCSGTNLAOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-4-7-8-9-10-13-21-33-27-17-14-16-26-30(27)31(35)37-32(26)24-15-11-12-18-28(24)36-29-22-23(19-20-25(29)32)34(5-2)6-3/h11-12,14-20,22,33H,4-10,13,21H2,1-3H3.
What are the key properties of 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 498.67 g/mol, XLogP of 7.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(diethylamino)-7-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 18781873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).