1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C181H222N20O25 — CID 158004873

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 158004873) has the molecular formula C181H222N20O25 and a molecular weight of 3077.88 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 158004873
• Molecular Formula: C181H222N20O25
• Molecular Weight: 3077.88 g/mol
• Exact Mass: 3075.67
• IUPAC Name: 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(OC(=O)Nc1ccc(-c2c(C=NN(C)C)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(N(C)C)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c([N+](=O)[O-])c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C=NN(C)C)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(N(C)C)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C32H40N4O4.C32H39N3O5.C31H39N3O4.C29H36N4O3.C29H33N3O6.C28H35N3O3/c1-21(22-7-8-22)39-32(37)34-24-11-9-23(10-12-24)31-29(20-33-35(2)3)28-14-13-27(40-26-15-17-38-18-16-26)19-30(28)36(31)25-5-4-6-25;1-3-38-33-20-29-28-14-13-27(40-26-15-17-37-18-16-26)19-30(28)35(25-5-4-6-25)31(29)23-9-11-24(12-10-23)34-32(36)39-21(2)22-7-8-22;1-20(21-7-8-21)37-31(35)32-23-11-9-22(10-12-23)29-30(33(2)3)27-14-13-26(38-25-15-17-36-18-16-25)19-28(27)34(29)24-5-4-6-24;1-5-35-24-15-16-25-26(18-30-32(3)4)28(33(27(25)17-24)23-7-6-8-23)21-11-13-22(14-12-21)31-29(34)36-19(2)20-9-10-20;1-18(19-5-6-19)37-29(33)30-21-9-7-20(8-10-21)27-28(32(34)35)25-12-11-24(38-23-13-15-36-16-14-23)17-26(25)31(27)22-3-2-4-22;1-5-33-23-15-16-24-25(17-23)31(22-7-6-8-22)26(27(24)30(3)4)20-11-13-21(14-12-20)29-28(32)34-18(2)19-9-10-19/h9-14,19-22,25-26H,4-8,15-18H2,1-3H3,(H,34,37);9-14,19-22,25-26H,3-8,15-18H2,1-2H3,(H,34,36);9-14,19-21,24-25H,4-8,15-18H2,1-3H3,(H,32,35);11-20,23H,5-10H2,1-4H3,(H,31,34);7-12,17-19,22-23H,2-6,13-16H2,1H3,(H,30,33);11-19,22H,5-10H2,1-4H3,(H,29,32)
• InChIKey: FEEAMJUAKJROIG-UHFFFAOYSA-N
• XLogP: 41.51
• TPSA: 454.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 52
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3077.88
LogP ≤ 5	41.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 158004873) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C=NN(C)C)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(N(C)C)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c([N+](=O)[O-])c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCON=Cc1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C=NN(C)C)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(N(C)C)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?

The InChIKey is FEEAMJUAKJROIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O4.C32H39N3O5.C31H39N3O4.C29H36N4O3.C29H33N3O6.C28H35N3O3/c1-21(22-7-8-22)39-32(37)34-24-11-9-23(10-12-24)31-29(20-33-35(2)3)28-14-13-27(40-26-15-17-38-18-16-26)19-30(28)36(31)25-5-4-6-25;1-3-38-33-20-29-28-14-13-27(40-26-15-17-37-18-16-26)19-30(28)35(25-5-4-6-25)31(29)23-9-11-24(12-10-23)34-32(36)39-21(2)22-7-8-22;1-20(21-7-8-21)37-31(35)32-23-11-9-22(10-12-23)29-30(33(2)3)27-14-13-26(38-25-15-17-36-18-16-25)19-28(27)34(29)24-5-4-6-24;1-5-35-24-15-16-25-26(18-30-32(3)4)28(33(27(25)17-24)23-7-6-8-23)21-11-13-22(14-12-21)31-29(34)36-19(2)20-9-10-20;1-18(19-5-6-19)37-29(33)30-21-9-7-20(8-10-21)27-28(32(34)35)25-12-11-24(38-23-13-15-36-16-14-23)17-26(25)31(27)22-3-2-4-22;1-5-33-23-15-16-24-25(17-23)31(22-7-6-8-22)26(27(24)30(3)4)20-11-13-21(14-12-20)29-28(32)34-18(2)19-9-10-19/h9-14,19-22,25-26H,4-8,15-18H2,1-3H3,(H,34,37);9-14,19-22,25-26H,3-8,15-18H2,1-2H3,(H,34,36);9-14,19-21,24-25H,4-8,15-18H2,1-3H3,(H,32,35);11-20,23H,5-10H2,1-4H3,(H,31,34);7-12,17-19,22-23H,2-6,13-16H2,1H3,(H,30,33);11-19,22H,5-10H2,1-4H3,(H,29,32).

What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 3077.88 g/mol, XLogP of 41.51, 52 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-[(dimethylhydrazinylidene)methyl]-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158004873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).