methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C40H43ClN2O5Si — CID 71265724

About methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate

methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 71265724) has the molecular formula C40H43ClN2O5Si and a molecular weight of 695.33 g/mol. Its IUPAC name is methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
• PubChem CID: 71265724
• Molecular Formula: C40H43ClN2O5Si
• Molecular Weight: 695.33 g/mol
• Exact Mass: 694.26
• IUPAC Name: methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
• SMILES: COC(=O)C1(c2ccc(-c3ccc(-c4c(NC(=O)O[C@H](C)c5ccccc5Cl)c5ccccc5n4COCC[Si](C)(C)C)cc3)cc2)CC1
• InChI: InChI=1S/C40H43ClN2O5Si/c1-27(32-10-6-8-12-34(32)41)48-39(45)42-36-33-11-7-9-13-35(33)43(26-47-24-25-49(3,4)5)37(36)30-16-14-28(15-17-30)29-18-20-31(21-19-29)40(22-23-40)38(44)46-2/h6-21,27H,22-26H2,1-5H3,(H,42,45)/t27-/m1/s1
• InChIKey: NQSOFPGJNWQXHF-HHHXNRCGSA-N
• XLogP: 10.46
• TPSA: 78.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.33
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

The IUPAC name of methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 71265724) is methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

What is the SMILES notation for methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

The canonical SMILES for methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(-c3ccc(-c4c(NC(=O)O[C@H](C)c5ccccc5Cl)c5ccccc5n4COCC[Si](C)(C)C)cc3)cc2)CC1.

What is the InChIKey of methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

The InChIKey is NQSOFPGJNWQXHF-HHHXNRCGSA-N. The full InChI is InChI=1S/C40H43ClN2O5Si/c1-27(32-10-6-8-12-34(32)41)48-39(45)42-36-33-11-7-9-13-35(33)43(26-47-24-25-49(3,4)5)37(36)30-16-14-28(15-17-30)29-18-20-31(21-19-29)40(22-23-40)38(44)46-2/h6-21,27H,22-26H2,1-5H3,(H,42,45)/t27-/m1/s1.

What are the key properties of methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 695.33 g/mol, XLogP of 10.46, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71265724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).