1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea

C133H153N17O15 — CID 158287172

About 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea

1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea (PubChem CID 158287172) has the molecular formula C133H153N17O15 and a molecular weight of 2229.79 g/mol. Its IUPAC name is 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea
• PubChem CID: 158287172
• Molecular Formula: C133H153N17O15
• Molecular Weight: 2229.79 g/mol
• Exact Mass: 2228.17
• IUPAC Name: 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea
• SMILES: CCOc1ccc2c(C(=O)N(C)C3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(C)=O)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2cc(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C30H36N4O3.C27H31N3O3.C26H29N3O3.C25H28N4O4.C25H29N3O2/c1-3-37-24-16-17-25-26(18-24)34(23-8-5-9-23)28(27(25)29(35)33(2)22-14-15-22)19-10-12-21(13-11-19)32-30(36)31-20-6-4-7-20;1-3-33-22-14-15-23-24(16-22)30(21-8-5-9-21)26(25(23)17(2)31)18-10-12-20(13-11-18)29-27(32)28-19-6-4-7-19;1-2-32-21-13-14-22-23(16-30)25(29(24(22)15-21)20-7-4-8-20)17-9-11-19(12-10-17)28-26(31)27-18-5-3-6-18;1-2-33-20-13-14-21-22(15-20)28(19-7-4-8-19)23(24(21)29(31)32)16-9-11-18(12-10-16)27-25(30)26-17-5-3-6-17;1-2-30-22-14-11-18-15-23(28(24(18)16-22)21-7-4-8-21)17-9-12-20(13-10-17)27-25(29)26-19-5-3-6-19/h10-13,16-18,20,22-23H,3-9,14-15H2,1-2H3,(H2,31,32,36);10-16,19,21H,3-9H2,1-2H3,(H2,28,29,32);9-16,18,20H,2-8H2,1H3,(H2,27,28,31);9-15,17,19H,2-8H2,1H3,(H2,26,27,30);9-16,19,21H,2-8H2,1H3,(H2,26,27,29)
• InChIKey: GKXLUXOASDDQJN-UHFFFAOYSA-N
• XLogP: 30.69
• TPSA: 374.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.79
LogP ≤ 5	30.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?

The IUPAC name of 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea (CID 158287172) is 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea.

What is the SMILES notation for 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?

The canonical SMILES for 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea is CCOc1ccc2c(C(=O)N(C)C3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(C)=O)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2cc(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?

The InChIKey is GKXLUXOASDDQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3.C27H31N3O3.C26H29N3O3.C25H28N4O4.C25H29N3O2/c1-3-37-24-16-17-25-26(18-24)34(23-8-5-9-23)28(27(25)29(35)33(2)22-14-15-22)19-10-12-21(13-11-19)32-30(36)31-20-6-4-7-20;1-3-33-22-14-15-23-24(16-22)30(21-8-5-9-21)26(25(23)17(2)31)18-10-12-20(13-11-18)29-27(32)28-19-6-4-7-19;1-2-32-21-13-14-22-23(16-30)25(29(24(22)15-21)20-7-4-8-20)17-9-11-19(12-10-17)28-26(31)27-18-5-3-6-18;1-2-33-20-13-14-21-22(15-20)28(19-7-4-8-19)23(24(21)29(31)32)16-9-11-18(12-10-16)27-25(30)26-17-5-3-6-17;1-2-30-22-14-11-18-15-23(28(24(18)16-22)21-7-4-8-21)17-9-12-20(13-10-17)27-25(29)26-19-5-3-6-19/h10-13,16-18,20,22-23H,3-9,14-15H2,1-2H3,(H2,31,32,36);10-16,19,21H,3-9H2,1-2H3,(H2,28,29,32);9-16,18,20H,2-8H2,1H3,(H2,27,28,31);9-15,17,19H,2-8H2,1H3,(H2,26,27,30);9-16,19,21H,2-8H2,1H3,(H2,26,27,29).

What are the key properties of 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?

1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea has a molecular weight of 2229.79 g/mol, XLogP of 30.69, 35 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxy-N-methylindole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea is sourced from PubChem (CID 158287172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).