3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

C19H20N2O3 — CID 5143738

IUPAC3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-12-6-14-7-13(4-5-18(14)21-12)11-20-19(22)15-8-16(23-2)10-17(9-15)24-3/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyDFEKQUATSTVVBV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds5

About 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (PubChem CID 5143738) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
PubChem CID5143738
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-12-6-14-7-13(4-5-18(14)21-12)11-20-19(22)15-8-16(23-2)10-17(9-15)24-3/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyDFEKQUATSTVVBV-UHFFFAOYSA-N
XLogP3.42
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (CID 5143738) is 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The InChIKey is DFEKQUATSTVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-6-14-7-13(4-5-18(14)21-12)11-20-19(22)15-8-16(23-2)10-17(9-15)24-3/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide has a molecular weight of 324.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is sourced from PubChem (CID 5143738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).