N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide

C20H22N2O3 — CID 4523542

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-22-13-15(17-6-4-5-7-18(17)22)10-20(23)21-12-14-8-9-16(24-2)11-19(14)25-3/h4-9,11,13H,10,12H2,1-3H3,(H,21,23)
InChIKeyUTDUNGWMWSXYFF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.05
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 4523542) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID4523542
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-22-13-15(17-6-4-5-7-18(17)22)10-20(23)21-12-14-8-9-16(24-2)11-19(14)25-3/h4-9,11,13H,10,12H2,1-3H3,(H,21,23)
InChIKeyUTDUNGWMWSXYFF-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide (CID 4523542) is N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide is COc1ccc(CNC(=O)Cc2cn(C)c3ccccc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is UTDUNGWMWSXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22-13-15(17-6-4-5-7-18(17)22)10-20(23)21-12-14-8-9-16(24-2)11-19(14)25-3/h4-9,11,13H,10,12H2,1-3H3,(H,21,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 4523542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).