N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide

C20H22N2O3 — CID 18120698

IUPACN-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-24-18-9-4-5-10-19(18)25-15-20(23)21-12-6-13-22-14-11-16-7-2-3-8-17(16)22/h2-5,7-11,14H,6,12-13,15H2,1H3,(H,21,23)
InChIKeyIUNBKASSFHKWGY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds8

About N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide

N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 18120698) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID18120698
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-24-18-9-4-5-10-19(18)25-15-20(23)21-12-6-13-22-14-11-16-7-2-3-8-17(16)22/h2-5,7-11,14H,6,12-13,15H2,1H3,(H,21,23)
InChIKeyIUNBKASSFHKWGY-UHFFFAOYSA-N
XLogP3.24
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-(3-indol-1-ylpropyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55791961
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108726437
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
[2-(methylamino)-2-oxoethyl] N-(4-indol-1-ylbutyl)carbamate
CID 59128612
2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
CID 110443295

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide (CID 18120698) is N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is IUNBKASSFHKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-18-9-4-5-10-19(18)25-15-20(23)21-12-6-13-22-14-11-16-7-2-3-8-17(16)22/h2-5,7-11,14H,6,12-13,15H2,1H3,(H,21,23).
What are the key properties of N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide?
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 18120698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).