1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate

C128H134N16O19 — CID 160666476

About 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate

1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 160666476) has the molecular formula C128H134N16O19 and a molecular weight of 2200.57 g/mol. Its IUPAC name is 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 160666476
• Molecular Formula: C128H134N16O19
• Molecular Weight: 2200.57 g/mol
• Exact Mass: 2199.00
• IUPAC Name: 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
• SMILES: CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)COC)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC3CCOC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)O[C@H]3CCOC3)cc1)n2C1CCC1.COC(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COC(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/2C26H27N3O4.C26H29N3O4.C25H26N4O3.C25H25N3O4/c2*1-2-32-20-10-11-24-22(14-20)23(15-27)25(29(24)19-4-3-5-19)17-6-8-18(9-7-17)28-26(30)33-21-12-13-31-16-21;1-4-32-21-12-13-24-22(14-21)23(15-27)25(29(24)20-6-5-7-20)18-8-10-19(11-9-18)28-26(30)33-17(2)16-31-3;1-15(2)27-25(31)28-18-10-7-16(8-11-18)23-21(14-26)20-12-9-17(24(30)32-3)13-22(20)29(23)19-5-4-6-19;1-15(2)32-25(30)27-18-10-7-16(8-11-18)23-21(14-26)20-12-9-17(24(29)31-3)13-22(20)28(23)19-5-4-6-19/h2*6-11,14,19,21H,2-5,12-13,16H2,1H3,(H,28,30);8-14,17,20H,4-7,16H2,1-3H3,(H,28,30);7-13,15,19H,4-6H2,1-3H3,(H2,27,28,31);7-13,15,19H,4-6H2,1-3H3,(H,27,30)/t21-;;;;/m0..../s1
• InChIKey: RMJDVGIPRLFJGD-WUDICJIASA-N
• XLogP: 28.04
• TPSA: 446.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2200.57
LogP ≤ 5	28.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (CID 160666476) is 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate is CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)COC)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC3CCOC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)O[C@H]3CCOC3)cc1)n2C1CCC1.COC(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COC(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?

The InChIKey is RMJDVGIPRLFJGD-WUDICJIASA-N. The full InChI is InChI=1S/2C26H27N3O4.C26H29N3O4.C25H26N4O3.C25H25N3O4/c2*1-2-32-20-10-11-24-22(14-20)23(15-27)25(29(24)19-4-3-5-19)17-6-8-18(9-7-17)28-26(30)33-21-12-13-31-16-21;1-4-32-21-12-13-24-22(14-21)23(15-27)25(29(24)20-6-5-7-20)18-8-10-19(11-9-18)28-26(30)33-17(2)16-31-3;1-15(2)27-25(31)28-18-10-7-16(8-11-18)23-21(14-26)20-12-9-17(24(30)32-3)13-22(20)29(23)19-5-4-6-19;1-15(2)32-25(30)27-18-10-7-16(8-11-18)23-21(14-26)20-12-9-17(24(29)31-3)13-22(20)28(23)19-5-4-6-19/h2*6-11,14,19,21H,2-5,12-13,16H2,1H3,(H,28,30);8-14,17,20H,4-7,16H2,1-3H3,(H,28,30);7-13,15,19H,4-6H2,1-3H3,(H2,27,28,31);7-13,15,19H,4-6H2,1-3H3,(H,27,30)/t21-;;;;/m0..../s1.

What are the key properties of 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate?

1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2200.57 g/mol, XLogP of 28.04, 30 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-ylcarbamoylamino)phenyl]indole-6-carboxylate;methyl 3-cyano-1-cyclobutyl-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-6-carboxylate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 160666476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).