1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone

C20H29NO3 — CID 123544264

IUPAC1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone
SMILESCCC(C)(C)OCCC(C)(C)Oc1ccc2[nH]c(C(C)=O)cc2c1
InChIInChI=1S/C20H29NO3/c1-7-19(3,4)23-11-10-20(5,6)24-16-8-9-17-15(12-16)13-18(21-17)14(2)22/h8-9,12-13,21H,7,10-11H2,1-6H3
InChIKeyFCLDERPMIXYWJZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.12
Rot. Bonds8

About 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone

1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone (PubChem CID 123544264) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone
PubChem CID123544264
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone
SMILESCCC(C)(C)OCCC(C)(C)Oc1ccc2[nH]c(C(C)=O)cc2c1
InChIInChI=1S/C20H29NO3/c1-7-19(3,4)23-11-10-20(5,6)24-16-8-9-17-15(12-16)13-18(21-17)14(2)22/h8-9,12-13,21H,7,10-11H2,1-6H3
InChIKeyFCLDERPMIXYWJZ-UHFFFAOYSA-N
XLogP5.12
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone with MolForge

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Related Compounds

3-oxo-3-[5-(trifluoromethoxy)-1H-indol-2-yl]propanoic acid
CID 170887093
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1H-indole-2-carboxylic acid
CID 134272195
tert-butyl N-[2-[(2-carbonochloridoyl-1H-indol-5-yl)oxy]ethyl]carbamate
CID 156896958
3,3-dimethylbutyl 5-amino-1H-indole-2-carboxylate
CID 107363380
2,4-dimethyl-4-[3-methyl-3-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]butoxy]pent-1-en-3-one;ethane
CID 142098773
3-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxybenzoic acid
CID 137444763
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
(NE)-N-[1-(5-methoxy-1H-indol-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 178049101
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone?
The IUPAC name of 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone (CID 123544264) is 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone is CCC(C)(C)OCCC(C)(C)Oc1ccc2[nH]c(C(C)=O)cc2c1.
What is the InChIKey of 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone?
The InChIKey is FCLDERPMIXYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-7-19(3,4)23-11-10-20(5,6)24-16-8-9-17-15(12-16)13-18(21-17)14(2)22/h8-9,12-13,21H,7,10-11H2,1-6H3.
What are the key properties of 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone?
1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1H-indol-2-yl]ethanone is sourced from PubChem (CID 123544264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).