3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide

C20H23N3O2 — CID 109027558

IUPAC3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H23N3O2/c1-25-19-9-5-4-8-18(19)23-20(24)11-13-21-12-10-15-14-22-17-7-3-2-6-16(15)17/h2-9,14,21-22H,10-13H2,1H3,(H,23,24)
InChIKeyKATYCMPJSCGTHI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.34
Rot. Bonds8

About 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide

3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide (PubChem CID 109027558) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
PubChem CID109027558
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H23N3O2/c1-25-19-9-5-4-8-18(19)23-20(24)11-13-21-12-10-15-14-22-17-7-3-2-6-16(15)17/h2-9,14,21-22H,10-13H2,1H3,(H,23,24)
InChIKeyKATYCMPJSCGTHI-UHFFFAOYSA-N
XLogP3.34
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109027564
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 26355956
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109027445

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide (CID 109027558) is 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCNCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is KATYCMPJSCGTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-19-9-5-4-8-18(19)23-20(24)11-13-21-12-10-15-14-22-17-7-3-2-6-16(15)17/h2-9,14,21-22H,10-13H2,1H3,(H,23,24).
What are the key properties of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide?
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 109027558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).