ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate

C17H23NO3 — CID 102584304

IUPACethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
SMILESCCOC(=O)C(c1c[nH]c2ccc(OC)cc12)C(C)CC
InChIInChI=1S/C17H23NO3/c1-5-11(3)16(17(19)21-6-2)14-10-18-15-8-7-12(20-4)9-13(14)15/h7-11,16,18H,5-6H2,1-4H3
InChIKeyONECEZVWHJEHOF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.87
Rot. Bonds6

About ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate

ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate (PubChem CID 102584304) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
PubChem CID102584304
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
SMILESCCOC(=O)C(c1c[nH]c2ccc(OC)cc12)C(C)CC
InChIInChI=1S/C17H23NO3/c1-5-11(3)16(17(19)21-6-2)14-10-18-15-8-7-12(20-4)9-13(14)15/h7-11,16,18H,5-6H2,1-4H3
InChIKeyONECEZVWHJEHOF-UHFFFAOYSA-N
XLogP3.87
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
2-(4-ethoxycarbonylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42650234
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate?
The IUPAC name of ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate (CID 102584304) is ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate.
What is the SMILES notation for ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate?
The canonical SMILES for ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate is CCOC(=O)C(c1c[nH]c2ccc(OC)cc12)C(C)CC.
What is the InChIKey of ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate?
The InChIKey is ONECEZVWHJEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-11(3)16(17(19)21-6-2)14-10-18-15-8-7-12(20-4)9-13(14)15/h7-11,16,18H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate?
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate has a molecular weight of 289.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate is sourced from PubChem (CID 102584304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).