tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate

C28H32N2O6 — CID 24807321

IUPACtert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
SMILESCOc1ccc2c(c1)cc(-c1cc3cc(OC)ccc3n1C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C
InChIInChI=1S/C28H32N2O6/c1-27(2,3)35-25(31)29-21-11-9-19(33-7)13-17(21)15-23(29)24-16-18-14-20(34-8)10-12-22(18)30(24)26(32)36-28(4,5)6/h9-16H,1-8H3
InChIKeyCLMJHAHKKXXCTE-UHFFFAOYSA-N
MW492.57 g/mol
LogP6.85
Rot. Bonds3

About tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate

tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate (PubChem CID 24807321) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
PubChem CID24807321
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Nametert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
SMILESCOc1ccc2c(c1)cc(-c1cc3cc(OC)ccc3n1C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C
InChIInChI=1S/C28H32N2O6/c1-27(2,3)35-25(31)29-21-11-9-19(33-7)13-17(21)15-23(29)24-16-18-14-20(34-8)10-12-22(18)30(24)26(32)36-28(4,5)6/h9-16H,1-8H3
InChIKeyCLMJHAHKKXXCTE-UHFFFAOYSA-N
XLogP6.85
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate 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

tert-butyl 2-(furan-2-yl)indole-1-carboxylate
CID 71078189
tert-butyl 5-amino-2-(4-methoxyphenyl)benzimidazole-1-carboxylate
CID 139827234
tert-butyl 5-methoxy-3-oxo-2,1-benzoxazole-1-carboxylate
CID 102142630
tert-butyl N-(1-benzoyl-5-methoxyindole-2-carbonyl)carbamate
CID 166446646
tert-butyl 2-chloro-5-fluoroindole-1-carboxylate
CID 125116334
tert-butyl 2-(3-tert-butylphenyl)-5-(2-methoxy-2-oxoethyl)sulfanylindole-1-carboxylate
CID 172609062
tert-butyl 2-(2-chloropyrimidin-4-yl)-5-phenylmethoxyindole-1-carboxylate
CID 44754983
acetic acid;tert-butyl 5-hydroxy-2-methylindole-1-carboxylate
CID 18914660
tert-butyl 5-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)indole-1-carboxylate
CID 25101372
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
(4-methoxyphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]iodanium
CID 132555591
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate?
The IUPAC name of tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate (CID 24807321) is tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate is COc1ccc2c(c1)cc(-c1cc3cc(OC)ccc3n1C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate?
The InChIKey is CLMJHAHKKXXCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-27(2,3)35-25(31)29-21-11-9-19(33-7)13-17(21)15-23(29)24-16-18-14-20(34-8)10-12-22(18)30(24)26(32)36-28(4,5)6/h9-16H,1-8H3.
What are the key properties of tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate?
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate has a molecular weight of 492.57 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate is sourced from PubChem (CID 24807321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).