3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide

C21H24N2O2 — CID 71840847

IUPAC3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCCn1ccc2cc(CCC(=O)NCc3cccc(OC)c3)ccc21
InChIInChI=1S/C21H24N2O2/c1-3-23-12-11-18-13-16(7-9-20(18)23)8-10-21(24)22-15-17-5-4-6-19(14-17)25-2/h4-7,9,11-14H,3,8,10,15H2,1-2H3,(H,22,24)
InChIKeyWAOJJUDMXQCHPK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.92
Rot. Bonds7

About 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide

3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 71840847) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID71840847
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCCn1ccc2cc(CCC(=O)NCc3cccc(OC)c3)ccc21
InChIInChI=1S/C21H24N2O2/c1-3-23-12-11-18-13-16(7-9-20(18)23)8-10-21(24)22-15-17-5-4-6-19(14-17)25-2/h4-7,9,11-14H,3,8,10,15H2,1-2H3,(H,22,24)
InChIKeyWAOJJUDMXQCHPK-UHFFFAOYSA-N
XLogP3.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
CID 71830169
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46278542
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 71840847) is 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide is CCn1ccc2cc(CCC(=O)NCc3cccc(OC)c3)ccc21.
What is the InChIKey of 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is WAOJJUDMXQCHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-23-12-11-18-13-16(7-9-20(18)23)8-10-21(24)22-15-17-5-4-6-19(14-17)25-2/h4-7,9,11-14H,3,8,10,15H2,1-2H3,(H,22,24).
What are the key properties of 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 71840847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).