N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

C20H22N2O3 — CID 4796631

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C20H22N2O3/c1-22(13-14-7-6-10-18(24-2)20(14)25-3)19(23)11-15-12-21-17-9-5-4-8-16(15)17/h4-10,12,21H,11,13H2,1-3H3
InChIKeyFWWDWRGNBRMHNN-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.39
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 4796631) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
PubChem CID4796631
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C20H22N2O3/c1-22(13-14-7-6-10-18(24-2)20(14)25-3)19(23)11-15-12-21-17-9-5-4-8-16(15)17/h4-10,12,21H,11,13H2,1-3H3
InChIKeyFWWDWRGNBRMHNN-UHFFFAOYSA-N
XLogP3.39
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide (CID 4796631) is N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is COc1cccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is FWWDWRGNBRMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22(13-14-7-6-10-18(24-2)20(14)25-3)19(23)11-15-12-21-17-9-5-4-8-16(15)17/h4-10,12,21H,11,13H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 338.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 4796631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).