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

C21H24N2O3 — CID 4690489

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C21H24N2O3/c1-15-12-17-6-4-5-7-18(17)23(15)11-10-22-21(24)14-16-8-9-19(25-2)20(13-16)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,24)
InChIKeyGLZUPWKERCHGFX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.33
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide (PubChem CID 4690489) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
PubChem CID4690489
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C21H24N2O3/c1-15-12-17-6-4-5-7-18(17)23(15)11-10-22-21(24)14-16-8-9-19(25-2)20(13-16)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,24)
InChIKeyGLZUPWKERCHGFX-UHFFFAOYSA-N
XLogP3.33
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 90677061
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 131925524
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3655068
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide
CID 91827368
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16985669
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide (CID 4690489) is 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCn2c(C)cc3ccccc32)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
The InChIKey is GLZUPWKERCHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-12-17-6-4-5-7-18(17)23(15)11-10-22-21(24)14-16-8-9-19(25-2)20(13-16)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 4690489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).