N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide

C22H26N2O2 — CID 10926166

IUPACN-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cn(CCc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C22H26N2O2/c1-3-22(25)23-13-11-18-16-24(14-12-17-7-5-4-6-8-17)21-10-9-19(26-2)15-20(18)21/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyJJWHSRQBQHWNKK-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.96
Rot. Bonds8

About N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide

N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide (PubChem CID 10926166) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
PubChem CID10926166
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1cn(CCc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C22H26N2O2/c1-3-22(25)23-13-11-18-16-24(14-12-17-7-5-4-6-8-17)21-10-9-19(26-2)15-20(18)21/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyJJWHSRQBQHWNKK-UHFFFAOYSA-N
XLogP3.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371
4-[5-methoxy-3-[2-(propanoylamino)ethyl]indol-1-yl]-4-oxobutanoic acid
CID 155529430
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096
N-[2-(5-methyl-1-propylindol-3-yl)ethyl]propanamide
CID 122425297
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898110
4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898106
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53117767
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
CID 11130636

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide?
The IUPAC name of N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide (CID 10926166) is N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide is CCC(=O)NCCc1cn(CCc2ccccc2)c2ccc(OC)cc12.
What is the InChIKey of N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide?
The InChIKey is JJWHSRQBQHWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-22(25)23-13-11-18-16-24(14-12-17-7-5-4-6-8-17)21-10-9-19(26-2)15-20(18)21/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide?
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide has a molecular weight of 350.46 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide is sourced from PubChem (CID 10926166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).