3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C21H24N2O4 — CID 5213756

IUPAC3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H24N2O4/c1-14-11-15-7-5-6-8-17(15)23(14)10-9-22-21(24)16-12-18(25-2)20(27-4)19(13-16)26-3/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)
InChIKeyFYHQHTZBAYIYKM-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.41
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 5213756) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID5213756
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H24N2O4/c1-14-11-15-7-5-6-8-17(15)23(14)10-9-22-21(24)16-12-18(25-2)20(27-4)19(13-16)26-3/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)
InChIKeyFYHQHTZBAYIYKM-UHFFFAOYSA-N
XLogP3.41
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 5213756) is 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is COc1cc(C(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is FYHQHTZBAYIYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-11-15-7-5-6-8-17(15)23(14)10-9-22-21(24)16-12-18(25-2)20(27-4)19(13-16)26-3/h5-8,11-13H,9-10H2,1-4H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 5213756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).