3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C20H22N2O3 — CID 5103349

IUPAC3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C20H22N2O3/c1-14-12-15-6-4-5-7-17(15)22(14)11-10-21-20(23)16-8-9-18(24-2)19(13-16)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)
InChIKeyRSFNIYWUSCZTRI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.40
Rot. Bonds6

About 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 5103349) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID5103349
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C20H22N2O3/c1-14-12-15-6-4-5-7-17(15)22(14)11-10-21-20(23)16-8-9-18(24-2)19(13-16)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)
InChIKeyRSFNIYWUSCZTRI-UHFFFAOYSA-N
XLogP3.40
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 5103349) is 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is RSFNIYWUSCZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-12-15-6-4-5-7-17(15)22(14)11-10-21-20(23)16-8-9-18(24-2)19(13-16)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 5103349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).