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

C95H130N8O2 — CID 158554883

IUPACtert-butyl N-[2-(6-tert-butyl-1H-indol-3-yl)ethyl]carbamate;6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole
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)(C)c1ccc2c(CC#N)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C19H28N2O2.C17H23N.C16H23N.C15H21N.C14H16N2.C14H19N/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;1-15(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;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);8-12,18H,4-7H2,1-3H3;7-10,17H,1-6H3;6-10,16H,1-5H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3
InChIKeyHQDWRWQARCDRES-UHFFFAOYSA-N
MW1416.14 g/mol
LogP26.57
Rot. Bonds7

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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole (PubChem CID 158554883) has the molecular formula C95H130N8O2 and a molecular weight of 1416.14 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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole.

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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole
PubChem CID158554883
Molecular FormulaC95H130N8O2
Molecular Weight1416.14 g/mol
Exact Mass1415.03
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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole
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)(C)c1ccc2c(CC#N)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C19H28N2O2.C17H23N.C16H23N.C15H21N.C14H16N2.C14H19N/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;1-15(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;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);8-12,18H,4-7H2,1-3H3;7-10,17H,1-6H3;6-10,16H,1-5H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3
InChIKeyHQDWRWQARCDRES-UHFFFAOYSA-N
XLogP26.57
TPSA156.86 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.14
LogP ≤ 526.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole 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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole (CID 158554883) 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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;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)(C)c1ccc2c(CC#N)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCc1c[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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole?
The InChIKey is HQDWRWQARCDRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C17H23N.C16H23N.C15H21N.C14H16N2.C14H19N/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;1-15(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;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);8-12,18H,4-7H2,1-3H3;7-10,17H,1-6H3;6-10,16H,1-5H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3.
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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole has a molecular weight of 1416.14 g/mol, XLogP of 26.57, 7 rotatable bonds, 7 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-ethyl-1H-indole;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-propan-2-yl-1H-indole;3,6-ditert-butyl-1H-indole is sourced from PubChem (CID 158554883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).