1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone

C22H25NO4 — CID 1150667

IUPAC1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H25NO4/c1-14-22(15(2)24)18-13-17(25-3)7-8-19(18)23(14)11-10-16-6-9-20(26-4)21(12-16)27-5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyQJVFXZZUJGGWJG-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.42
Rot. Bonds7

About 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone

1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone (PubChem CID 1150667) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone
PubChem CID1150667
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H25NO4/c1-14-22(15(2)24)18-13-17(25-3)7-8-19(18)23(14)11-10-16-6-9-20(26-4)21(12-16)27-5/h6-9,12-13H,10-11H2,1-5H3
InChIKeyQJVFXZZUJGGWJG-UHFFFAOYSA-N
XLogP4.42
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone (CID 1150667) is 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone is COc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone?
The InChIKey is QJVFXZZUJGGWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14-22(15(2)24)18-13-17(25-3)7-8-19(18)23(14)11-10-16-6-9-20(26-4)21(12-16)27-5/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone?
1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone has a molecular weight of 367.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 1150667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).