N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide

C21H24N2O2 — CID 108726437

IUPACN-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCCn2ccc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-15-12-16(2)17(3)20(13-15)25-14-21(24)22-9-11-23-10-8-18-6-4-5-7-19(18)23/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,22,24)
InChIKeyMMOOETWASAHDJG-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.76
Rot. Bonds6

About N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide

N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 108726437) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID108726437
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCCn2ccc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-15-12-16(2)17(3)20(13-15)25-14-21(24)22-9-11-23-10-8-18-6-4-5-7-19(18)23/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,22,24)
InChIKeyMMOOETWASAHDJG-UHFFFAOYSA-N
XLogP3.76
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-indol-1-ylethyl)acetamide
CID 108811505
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
1,1-diethyl-3-(2-indol-1-ylethyl)urea
CID 108726423
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-[2-(6-fluoroindol-1-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 86207294
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
CID 17080283
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 108726437) is N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)NCCn2ccc3ccccc32)c1.
What is the InChIKey of N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is MMOOETWASAHDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-12-16(2)17(3)20(13-15)25-14-21(24)22-9-11-23-10-8-18-6-4-5-7-19(18)23/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 108726437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).