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

C20H22N2O4 — CID 6498691

IUPAC3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cc3ccccc3n2C)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-22-15(9-13-7-5-6-8-16(13)22)12-21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyXLSVPNPXELIHPW-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.13
Rot. Bonds6

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

3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide (PubChem CID 6498691) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide
PubChem CID6498691
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cc3ccccc3n2C)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4/c1-22-15(9-13-7-5-6-8-16(13)22)12-21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyXLSVPNPXELIHPW-UHFFFAOYSA-N
XLogP3.13
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.13
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-[(1-methylindol-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide (CID 6498691) is 3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide is COc1cc(C(=O)NCc2cc3ccccc3n2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide?
The InChIKey is XLSVPNPXELIHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22-15(9-13-7-5-6-8-16(13)22)12-21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h5-11H,12H2,1-4H3,(H,21,23).
What are the key properties of 3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(1-methylindol-2-yl)methyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.13, 6 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-[(1-methylindol-2-yl)methyl]benzamide is sourced from PubChem (CID 6498691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).