tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole

C83H118N6O3 — CID 157122427

About tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole

tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole (PubChem CID 157122427) has the molecular formula C83H118N6O3 and a molecular weight of 1247.90 g/mol. Its IUPAC name is tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole.

Molecular Properties

• Compound Name: tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole
• PubChem CID: 157122427
• Molecular Formula: C83H118N6O3
• Molecular Weight: 1247.90 g/mol
• Exact Mass: 1246.93
• IUPAC Name: tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole
• SMILES: CC(C)(C)OC(=O)NCCc1c[nH]c2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(C3CCCC3)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOCCc1c[nH]c2cc(C(C)(C)C)ccc12
• InChI: InChI=1S/C19H28N2O2.C17H23N.C16H23NO.C16H23N.C15H21N/c1-18(2,3)14-7-8-15-13(12-21-16(15)11-14)9-10-20-17(22)23-19(4,5)6;1-17(2,3)13-8-9-14-15(11-18-16(14)10-13)12-6-4-5-7-12;1-5-18-9-8-12-11-17-15-10-13(16(2,3)4)6-7-14(12)15;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-10(2)13-9-16-14-8-11(15(3,4)5)6-7-12(13)14/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);8-12,18H,4-7H2,1-3H3;6-7,10-11,17H,5,8-9H2,1-4H3;7-10,17H,1-6H3;6-10,16H,1-5H3
• InChIKey: AIDAZYFBWZVWGZ-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 126.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.90
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole?

The IUPAC name of tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole (CID 157122427) is tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole.

What is the SMILES notation for tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole?

The canonical SMILES for tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole is CC(C)(C)OC(=O)NCCc1c[nH]c2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(C3CCCC3)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOCCc1c[nH]c2cc(C(C)(C)C)ccc12.

What is the InChIKey of tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole?

The InChIKey is AIDAZYFBWZVWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C17H23N.C16H23NO.C16H23N.C15H21N/c1-18(2,3)14-7-8-15-13(12-21-16(15)11-14)9-10-20-17(22)23-19(4,5)6;1-17(2,3)13-8-9-14-15(11-18-16(14)10-13)12-6-4-5-7-12;1-5-18-9-8-12-11-17-15-10-13(16(2,3)4)6-7-14(12)15;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-10(2)13-9-16-14-8-11(15(3,4)5)6-7-12(13)14/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);8-12,18H,4-7H2,1-3H3;6-7,10-11,17H,5,8-9H2,1-4H3;7-10,17H,1-6H3;6-10,16H,1-5H3.

What are the key properties of tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole?

tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole has a molecular weight of 1247.90 g/mol, XLogP of 23.05, 9 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-(2-ethoxyethyl)-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole is sourced from PubChem (CID 157122427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).