methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate

C79H68N4O10 — CID 139754561

About methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate

methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate (PubChem CID 139754561) has the molecular formula C79H68N4O10 and a molecular weight of 1233.43 g/mol. Its IUPAC name is methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate
• PubChem CID: 139754561
• Molecular Formula: C79H68N4O10
• Molecular Weight: 1233.43 g/mol
• Exact Mass: 1232.49
• IUPAC Name: methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate
• SMILES: CCN(c1ccc2c(c1)Oc1cc(C)c(N(C(=O)OC)c3ccc(C(C)(C)c4ccc(N(C(=O)OC)c5cc6c(cc5C)Oc5cc(N(CC)c7ccccc7C)ccc5C65OC(=O)c6ccccc65)cc4)cc3)cc1C21OC(=O)c2ccccc21)c1ccccc1C
• InChI: InChI=1S/C79H68N4O10/c1-11-80(65-27-19-13-21-47(65)3)55-37-39-61-71(43-55)90-69-41-49(5)67(45-63(69)78(61)59-25-17-15-23-57(59)73(84)92-78)82(75(86)88-9)53-33-29-51(30-34-53)77(7,8)52-31-35-54(36-32-52)83(76(87)89-10)68-46-64-70(42-50(68)6)91-72-44-56(81(12-2)66-28-20-14-22-48(66)4)38-40-62(72)79(64)60-26-18-16-24-58(60)74(85)93-79/h13-46H,11-12H2,1-10H3
• InChIKey: VXVFIBWYWUTVMN-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 136.62 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.43
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate?

The IUPAC name of methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate (CID 139754561) is methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate.

What is the SMILES notation for methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate?

The canonical SMILES for methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate is CCN(c1ccc2c(c1)Oc1cc(C)c(N(C(=O)OC)c3ccc(C(C)(C)c4ccc(N(C(=O)OC)c5cc6c(cc5C)Oc5cc(N(CC)c7ccccc7C)ccc5C65OC(=O)c6ccccc65)cc4)cc3)cc1C21OC(=O)c2ccccc21)c1ccccc1C.

What is the InChIKey of methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate?

The InChIKey is VXVFIBWYWUTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H68N4O10/c1-11-80(65-27-19-13-21-47(65)3)55-37-39-61-71(43-55)90-69-41-49(5)67(45-63(69)78(61)59-25-17-15-23-57(59)73(84)92-78)82(75(86)88-9)53-33-29-51(30-34-53)77(7,8)52-31-35-54(36-32-52)83(76(87)89-10)68-46-64-70(42-50(68)6)91-72-44-56(81(12-2)66-28-20-14-22-48(66)4)38-40-62(72)79(64)60-26-18-16-24-58(60)74(85)93-79/h13-46H,11-12H2,1-10H3.

What are the key properties of methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate?

methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate has a molecular weight of 1233.43 g/mol, XLogP of 18.51, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-N-[4-[2-[4-[[6'-(N-ethyl-2-methylanilino)-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methoxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate is sourced from PubChem (CID 139754561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).