3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C22H25N3O3 — CID 113128750

IUPAC3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C22H25N3O3/c1-16(26)25(20-9-5-6-10-21(20)28-2)14-12-22(27)23-13-11-17-15-24-19-8-4-3-7-18(17)19/h3-10,15,24H,11-14H2,1-2H3,(H,23,27)
InChIKeyKPUALQCTIIDHIN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.28
Rot. Bonds8

About 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 113128750) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID113128750
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C22H25N3O3/c1-16(26)25(20-9-5-6-10-21(20)28-2)14-12-22(27)23-13-11-17-15-24-19-8-4-3-7-18(17)19/h3-10,15,24H,11-14H2,1-2H3,(H,23,27)
InChIKeyKPUALQCTIIDHIN-UHFFFAOYSA-N
XLogP3.28
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 113128750) is 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is COc1ccccc1N(CCC(=O)NCCc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is KPUALQCTIIDHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(26)25(20-9-5-6-10-21(20)28-2)14-12-22(27)23-13-11-17-15-24-19-8-4-3-7-18(17)19/h3-10,15,24H,11-14H2,1-2H3,(H,23,27).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 113128750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).