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

C21H23N3O2 — CID 109027454

IUPAC3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCC(=O)c1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)16-6-8-18(9-7-16)22-13-11-21(26)23-12-10-17-14-24-20-5-3-2-4-19(17)20/h2-9,14,22,24H,10-13H2,1H3,(H,23,26)
InChIKeyGQSYHPZSWXOUQR-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.53
Rot. Bonds8

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

3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 109027454) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID109027454
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCC(=O)c1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)16-6-8-18(9-7-16)22-13-11-21(26)23-12-10-17-14-24-20-5-3-2-4-19(17)20/h2-9,14,22,24H,10-13H2,1H3,(H,23,26)
InChIKeyGQSYHPZSWXOUQR-UHFFFAOYSA-N
XLogP3.53
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
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
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
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-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 109027454) is 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is CC(=O)c1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is GQSYHPZSWXOUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(25)16-6-8-18(9-7-16)22-13-11-21(26)23-12-10-17-14-24-20-5-3-2-4-19(17)20/h2-9,14,22,24H,10-13H2,1H3,(H,23,26).
What are the key properties of 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 109027454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).