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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate

C124H170N10O5 — CID 158095978

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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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)c1ccc2cc(C#N)[nH]c2c1.CC(C)(C)c1ccc2cc(C(C)(C)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.Cc1cc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C19H28N2O2.C16H21NO2.C16H23NO.2C16H23N.C15H21N.C13H14N2.C13H17N/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;1-5-19-15(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)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;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;1-13(2,3)10-5-4-9-6-11(8-14)15-12(9)7-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);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;4-7,15H,1-3H3;5-8,14H,1-4H3
InChIKeyFOQZEKMCULXCFF-UHFFFAOYSA-N
MW1880.79 g/mol
LogP33.59
Rot. Bonds13

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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate (PubChem CID 158095978) has the molecular formula C124H170N10O5 and a molecular weight of 1880.79 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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate
PubChem CID158095978
Molecular FormulaC124H170N10O5
Molecular Weight1880.79 g/mol
Exact Mass1879.34
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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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)c1ccc2cc(C#N)[nH]c2c1.CC(C)(C)c1ccc2cc(C(C)(C)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.Cc1cc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C19H28N2O2.C16H21NO2.C16H23NO.2C16H23N.C15H21N.C13H14N2.C13H17N/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;1-5-19-15(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)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;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;1-13(2,3)10-5-4-9-6-11(8-14)15-12(9)7-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);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;4-7,15H,1-3H3;5-8,14H,1-4H3
InChIKeyFOQZEKMCULXCFF-UHFFFAOYSA-N
XLogP33.59
TPSA223.97 Ų
H-Bond Donors9
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.79
LogP ≤ 533.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 106

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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate with MolForge

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Related Compounds

methyl 2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 16129895
methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 16129787
methyl 2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 16129788
methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 16129789
ethyl 2,2,2-tris(1H-indol-3-yl)acetate
CID 400277
[1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate
CID 141348522
[(2R,3S)-2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl] 2-(1H-indol-3-yl)acetate
CID 142492773
[3-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-1-adamantyl] 2-(1H-indol-3-yl)acetate;N-methylmethanamine
CID 144656649
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
[(2R)-2-[(2R,3R,4S)-3,4-bis[[2-(1H-indol-3-yl)acetyl]oxy]oxolan-2-yl]-2-[2-(1H-indol-3-yl)acetyl]oxyethyl] 2-(1H-indol-3-yl)acetate
CID 146458117
[2-[(2R,3R,4S)-3,4-bis[[2-(1H-indol-3-yl)acetyl]oxy]oxolan-2-yl]-2-[2-(1H-indol-3-yl)acetyl]oxyethyl] 2-(1H-indol-3-yl)acetate
CID 146458118
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine
CID 157075907

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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate (CID 158095978) 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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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)c1ccc2cc(C#N)[nH]c2c1.CC(C)(C)c1ccc2cc(C(C)(C)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.Cc1cc2ccc(C(C)(C)C)cc2[nH]1.
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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate?
The InChIKey is FOQZEKMCULXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C16H21NO2.C16H23NO.2C16H23N.C15H21N.C13H14N2.C13H17N/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;1-5-19-15(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)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;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;1-13(2,3)10-5-4-9-6-11(8-14)15-12(9)7-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9/h7-8,11-12,21H,9-10H2,1-6H3,(H,20,22);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;4-7,15H,1-3H3;5-8,14H,1-4H3.
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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate has a molecular weight of 1880.79 g/mol, XLogP of 33.59, 13 rotatable bonds, 9 hydrogen bond donors, and 6 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-(2-ethoxyethyl)-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 158095978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).