3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate

C115H162N8O5 — CID 162215111

IUPAC3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate
SMILESCC(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.CCC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOC(=O)Cc1c[nH]c2cc(C(C)(C)C)ccc12.CCOCCc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C19H28N2O2.C17H23N.C16H21NO2.C16H23NO.2C16H23N.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;1-5-19-15(18)8-11-10-17-14-9-12(16(2,3)4)6-7-13(11)14;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;1-6-11(2)14-10-17-15-9-12(16(3,4)5)7-8-13(14)15;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;6-7,9-10,17H,5,8H2,1-4H3;6-7,10-11,17H,5,8-9H2,1-4H3;7-10,17H,1-6H3;7-11,17H,6H2,1-5H3;6-10,16H,1-5H3
InChIKeyZTIXKSFOESXLKN-UHFFFAOYSA-N
MW1736.61 g/mol
LogP31.60
Rot. Bonds14

About 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate

3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate (PubChem CID 162215111) has the molecular formula C115H162N8O5 and a molecular weight of 1736.61 g/mol. Its IUPAC name is 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate
PubChem CID162215111
Molecular FormulaC115H162N8O5
Molecular Weight1736.61 g/mol
Exact Mass1735.27
IUPAC Name3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate
SMILESCC(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.CCC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOC(=O)Cc1c[nH]c2cc(C(C)(C)C)ccc12.CCOCCc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C19H28N2O2.C17H23N.C16H21NO2.C16H23NO.2C16H23N.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;1-5-19-15(18)8-11-10-17-14-9-12(16(2,3)4)6-7-13(11)14;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;1-6-11(2)14-10-17-15-9-12(16(3,4)5)7-8-13(14)15;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;6-7,9-10,17H,5,8H2,1-4H3;6-7,10-11,17H,5,8-9H2,1-4H3;7-10,17H,1-6H3;7-11,17H,6H2,1-5H3;6-10,16H,1-5H3
InChIKeyZTIXKSFOESXLKN-UHFFFAOYSA-N
XLogP31.60
TPSA184.39 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.61
LogP ≤ 531.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
The IUPAC name of 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate (CID 162215111) is 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate.
What is the SMILES notation for 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
The canonical SMILES for 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate 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.CCC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCOC(=O)Cc1c[nH]c2cc(C(C)(C)C)ccc12.CCOCCc1c[nH]c2cc(C(C)(C)C)ccc12.
What is the InChIKey of 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
The InChIKey is ZTIXKSFOESXLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C17H23N.C16H21NO2.C16H23NO.2C16H23N.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;1-5-19-15(18)8-11-10-17-14-9-12(16(2,3)4)6-7-13(11)14;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;1-6-11(2)14-10-17-15-9-12(16(3,4)5)7-8-13(14)15;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;6-7,9-10,17H,5,8H2,1-4H3;6-7,10-11,17H,5,8-9H2,1-4H3;7-10,17H,1-6H3;7-11,17H,6H2,1-5H3;6-10,16H,1-5H3.
What are the key properties of 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate has a molecular weight of 1736.61 g/mol, XLogP of 31.60, 14 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-tert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 162215111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).