methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate

C60H74N4O10 — CID 158405346

About methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate

methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate (PubChem CID 158405346) has the molecular formula C60H74N4O10 and a molecular weight of 1011.27 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate.

Molecular Properties

• Compound Name: methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate
• PubChem CID: 158405346
• Molecular Formula: C60H74N4O10
• Molecular Weight: 1011.27 g/mol
• Exact Mass: 1010.54
• IUPAC Name: methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate
• SMILES: COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3C=O)n(CCNC(=O)OC(C)(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CO)n(CCNC(=O)OC(C)(C)C)c2c1
• InChI: InChI=1S/C30H38N2O5.C30H36N2O5/c2*1-30(2,3)37-29(35)31-16-17-32-25-18-21(28(34)36-4)14-15-24(25)26(20-10-6-5-7-11-20)27(32)23-13-9-8-12-22(23)19-33/h8-9,12-15,18,20,33H,5-7,10-11,16-17,19H2,1-4H3,(H,31,35);8-9,12-15,18-20H,5-7,10-11,16-17H2,1-4H3,(H,31,35)
• InChIKey: GYPRTFKDGFPIPY-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 176.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.27
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate?

The IUPAC name of methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate (CID 158405346) is methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate.

What is the SMILES notation for methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate?

The canonical SMILES for methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate is COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3C=O)n(CCNC(=O)OC(C)(C)C)c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CO)n(CCNC(=O)OC(C)(C)C)c2c1.

What is the InChIKey of methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate?

The InChIKey is GYPRTFKDGFPIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O5.C30H36N2O5/c2*1-30(2,3)37-29(35)31-16-17-32-25-18-21(28(34)36-4)14-15-24(25)26(20-10-6-5-7-11-20)27(32)23-13-9-8-12-22(23)19-33/h8-9,12-15,18,20,33H,5-7,10-11,16-17,19H2,1-4H3,(H,31,35);8-9,12-15,18-20H,5-7,10-11,16-17H2,1-4H3,(H,31,35).

What are the key properties of methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate?

methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate has a molecular weight of 1011.27 g/mol, XLogP of 12.64, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate is sourced from PubChem (CID 158405346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).