N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide

C17H16N2O2 — CID 110730756

IUPACN-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H16N2O2/c1-12-4-2-3-5-16(12)21-11-17(20)19-14-6-7-15-13(10-14)8-9-18-15/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyZHMNWIHCUAROFM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.49
Rot. Bonds4

About N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide

N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 110730756) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide
PubChem CID110730756
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H16N2O2/c1-12-4-2-3-5-16(12)21-11-17(20)19-14-6-7-15-13(10-14)8-9-18-15/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyZHMNWIHCUAROFM-UHFFFAOYSA-N
XLogP3.49
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide (CID 110730756) is N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is ZHMNWIHCUAROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-4-2-3-5-16(12)21-11-17(20)19-14-6-7-15-13(10-14)8-9-18-15/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide?
N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 280.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 110730756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).