3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C21H25N3O2 — CID 109027444

IUPAC3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCCOc1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O2/c1-2-26-18-9-7-17(8-10-18)22-14-12-21(25)23-13-11-16-15-24-20-6-4-3-5-19(16)20/h3-10,15,22,24H,2,11-14H2,1H3,(H,23,25)
InChIKeyVCXJNCDXRFCHLJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds9

About 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 109027444) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID109027444
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCCOc1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O2/c1-2-26-18-9-7-17(8-10-18)22-14-12-21(25)23-13-11-16-15-24-20-6-4-3-5-19(16)20/h3-10,15,22,24H,2,11-14H2,1H3,(H,23,25)
InChIKeyVCXJNCDXRFCHLJ-UHFFFAOYSA-N
XLogP3.73
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173902
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925
N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109027445
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 109027444) is 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is CCOc1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is VCXJNCDXRFCHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-26-18-9-7-17(8-10-18)22-14-12-21(25)23-13-11-16-15-24-20-6-4-3-5-19(16)20/h3-10,15,22,24H,2,11-14H2,1H3,(H,23,25).
What are the key properties of 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 109027444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).