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

C83H116N6O5 — CID 158284234

IUPACtert-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;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(C3CCCC3)c[nH]c2c1.CC(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.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;1-10(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;6-10,16H,1-5H3
InChIKeyGKOSMJIUAJUHDR-UHFFFAOYSA-N
MW1277.88 g/mol
LogP21.86
Rot. Bonds12

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

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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate (PubChem CID 158284234) has the molecular formula C83H116N6O5 and a molecular weight of 1277.88 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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nametert-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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate
PubChem CID158284234
Molecular FormulaC83H116N6O5
Molecular Weight1277.88 g/mol
Exact Mass1276.90
IUPAC Nametert-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;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(C3CCCC3)c[nH]c2c1.CC(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.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;1-10(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;6-10,16H,1-5H3
InChIKeyGKOSMJIUAJUHDR-UHFFFAOYSA-N
XLogP21.86
TPSA152.81 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.88
LogP ≤ 521.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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;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 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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate (CID 158284234) 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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate.
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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
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;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(C3CCCC3)c[nH]c2c1.CC(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 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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
The InChIKey is GKOSMJIUAJUHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C17H23N.C16H21NO2.C16H23NO.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;1-10(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;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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate has a molecular weight of 1277.88 g/mol, XLogP of 21.86, 12 rotatable bonds, 6 hydrogen bond donors, and 5 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;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 158284234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).