N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide

C19H20N2O2 — CID 110782279

IUPACN-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1cn(C)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-14-7-3-6-10-18(14)23-13-19(22)20-11-15-12-21(2)17-9-5-4-8-16(15)17/h3-10,12H,11,13H2,1-2H3,(H,20,22)
InChIKeyIYAHLKBXGUGYST-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds5

About N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide

N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 110782279) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID110782279
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1cn(C)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-14-7-3-6-10-18(14)23-13-19(22)20-11-15-12-21(2)17-9-5-4-8-16(15)17/h3-10,12H,11,13H2,1-2H3,(H,20,22)
InChIKeyIYAHLKBXGUGYST-UHFFFAOYSA-N
XLogP3.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043014
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide (CID 110782279) is N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCc1cn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is IYAHLKBXGUGYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-7-3-6-10-18(14)23-13-19(22)20-11-15-12-21(2)17-9-5-4-8-16(15)17/h3-10,12H,11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 110782279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).