methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate

C15H19NO3 — CID 70426707

IUPACmethyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)CCc1cn(OC)c2ccccc12
InChIInChI=1S/C15H19NO3/c1-11(15(17)18-2)8-9-12-10-16(19-3)14-7-5-4-6-13(12)14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyAOLDVOJQMOCBDO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.44
Rot. Bonds5

About methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate

methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate (PubChem CID 70426707) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate
PubChem CID70426707
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)CCc1cn(OC)c2ccccc12
InChIInChI=1S/C15H19NO3/c1-11(15(17)18-2)8-9-12-10-16(19-3)14-7-5-4-6-13(12)14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyAOLDVOJQMOCBDO-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(1-methoxyindol-3-yl)ethyl]acetamide
CID 69330952
[3-(hydroxymethyl)indol-1-yl] 2-methylhexadecanoate
CID 175399365
[3-[4-(1-ethylindol-3-yl)-2-methylbutanoyl]oxy-2-hydroxypropyl] 4-(1-ethylindol-3-yl)-2-methylbutanoate
CID 172522188
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260
methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
CID 155925304
3-(2,2-diethoxyethyl)-1-methoxyindole
CID 57163335
2-(1-methoxyindol-3-yl)-N-pyridin-2-ylacetamide
CID 141490268
N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide
CID 141490301
(1-ethoxyindol-3-yl)methanol
CID 10219760
2-(1-methoxyindol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 141490312
methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate
CID 11128197
methyl 4-(1,5-dimethylpyrazol-4-yl)-2-methylbutanoate
CID 146474722

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate?
The IUPAC name of methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate (CID 70426707) is methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate?
The canonical SMILES for methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate is COC(=O)C(C)CCc1cn(OC)c2ccccc12.
What is the InChIKey of methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate?
The InChIKey is AOLDVOJQMOCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(15(17)18-2)8-9-12-10-16(19-3)14-7-5-4-6-13(12)14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate?
methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate has a molecular weight of 261.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate is sourced from PubChem (CID 70426707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).