N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide

C21H25N3O3 — CID 109027566

IUPACN-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3/c1-26-16-7-8-20(27-2)19(13-16)24-21(25)10-12-22-11-9-15-14-23-18-6-4-3-5-17(15)18/h3-8,13-14,22-23H,9-12H2,1-2H3,(H,24,25)
InChIKeyKGXGLLQIUDXTKK-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.35
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide

N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide (PubChem CID 109027566) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
PubChem CID109027566
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3/c1-26-16-7-8-20(27-2)19(13-16)24-21(25)10-12-22-11-9-15-14-23-18-6-4-3-5-17(15)18/h3-8,13-14,22-23H,9-12H2,1-2H3,(H,24,25)
InChIKeyKGXGLLQIUDXTKK-UHFFFAOYSA-N
XLogP3.35
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109027564
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 5213116
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958497
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(1H-indol-3-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3972625
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide (CID 109027566) is N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide is COc1ccc(OC)c(NC(=O)CCNCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
The InChIKey is KGXGLLQIUDXTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-26-16-7-8-20(27-2)19(13-16)24-21(25)10-12-22-11-9-15-14-23-18-6-4-3-5-17(15)18/h3-8,13-14,22-23H,9-12H2,1-2H3,(H,24,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 109027566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).