2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide

C20H22N2O2 — CID 100638141

IUPAC2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc3[nH]c(C)c(C)c3c2)cc1
InChIInChI=1S/C20H22N2O2/c1-13-4-6-16(7-5-13)11-21-20(23)12-24-17-8-9-19-18(10-17)14(2)15(3)22-19/h4-10,22H,11-12H2,1-3H3,(H,21,23)
InChIKeyRRRCUVDTRXOABH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.79
Rot. Bonds5

About 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide

2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 100638141) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID100638141
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc3[nH]c(C)c(C)c3c2)cc1
InChIInChI=1S/C20H22N2O2/c1-13-4-6-16(7-5-13)11-21-20(23)12-24-17-8-9-19-18(10-17)14(2)15(3)22-19/h4-10,22H,11-12H2,1-3H3,(H,21,23)
InChIKeyRRRCUVDTRXOABH-UHFFFAOYSA-N
XLogP3.79
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide (CID 100638141) is 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2ccc3[nH]c(C)c(C)c3c2)cc1.
What is the InChIKey of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RRRCUVDTRXOABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-4-6-16(7-5-13)11-21-20(23)12-24-17-8-9-19-18(10-17)14(2)15(3)22-19/h4-10,22H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 100638141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).