1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate

C112H128N10O17 — CID 158115842

About 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate

1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate (PubChem CID 158115842) has the molecular formula C112H128N10O17 and a molecular weight of 1886.31 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate
• PubChem CID: 158115842
• Molecular Formula: C112H128N10O17
• Molecular Weight: 1886.31 g/mol
• Exact Mass: 1884.95
• IUPAC Name: 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate
• SMILES: CCOc1ccc2c(C(=O)N(C)C3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(C)=O)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C31H37N3O4.C28H32N2O4.C27H30N2O4.C26H29N3O5/c1-4-37-25-16-17-26-27(18-25)34(24-6-5-7-24)29(28(26)30(35)33(3)23-14-15-23)21-10-12-22(13-11-21)32-31(36)38-19(2)20-8-9-20;1-4-33-23-14-15-24-25(16-23)30(22-6-5-7-22)27(26(24)17(2)31)20-10-12-21(13-11-20)29-28(32)34-18(3)19-8-9-19;1-3-32-22-13-14-23-24(16-30)26(29(25(23)15-22)21-5-4-6-21)19-9-11-20(12-10-19)28-27(31)33-17(2)18-7-8-18;1-3-33-21-13-14-22-23(15-21)28(20-5-4-6-20)24(25(22)29(31)32)18-9-11-19(12-10-18)27-26(30)34-16(2)17-7-8-17/h10-13,16-20,23-24H,4-9,14-15H2,1-3H3,(H,32,36);10-16,18-19,22H,4-9H2,1-3H3,(H,29,32);9-18,21H,3-8H2,1-2H3,(H,28,31);9-17,20H,3-8H2,1-2H3,(H,27,30)
• InChIKey: FQZLFUWUXZAVNY-UHFFFAOYSA-N
• XLogP: 27.27
• TPSA: 307.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.31
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?

The IUPAC name of 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate (CID 158115842) is 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?

The canonical SMILES for 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate is CCOc1ccc2c(C(=O)N(C)C3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(C)=O)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?

The InChIKey is FQZLFUWUXZAVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4.C28H32N2O4.C27H30N2O4.C26H29N3O5/c1-4-37-25-16-17-26-27(18-25)34(24-6-5-7-24)29(28(26)30(35)33(3)23-14-15-23)21-10-12-22(13-11-21)32-31(36)38-19(2)20-8-9-20;1-4-33-23-14-15-24-25(16-23)30(22-6-5-7-22)27(26(24)17(2)31)20-10-12-21(13-11-20)29-28(32)34-18(3)19-8-9-19;1-3-32-22-13-14-23-24(16-30)26(29(25(23)15-22)21-5-4-6-21)19-9-11-20(12-10-19)28-27(31)33-17(2)18-7-8-18;1-3-33-21-13-14-22-23(15-21)28(20-5-4-6-20)24(25(22)29(31)32)18-9-11-19(12-10-18)27-26(30)34-16(2)17-7-8-17/h10-13,16-20,23-24H,4-9,14-15H2,1-3H3,(H,32,36);10-16,18-19,22H,4-9H2,1-3H3,(H,29,32);9-18,21H,3-8H2,1-2H3,(H,28,31);9-17,20H,3-8H2,1-2H3,(H,27,30).

What are the key properties of 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?

1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate has a molecular weight of 1886.31 g/mol, XLogP of 27.27, 33 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethyl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[cyclopropyl(methyl)carbamoyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158115842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).