2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide

C19H20N2O2 — CID 113209591

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3ccccc3C)c2c1
InChIInChI=1S/C19H20N2O2/c1-13-5-3-4-6-14(13)11-21-19(22)9-15-12-20-18-8-7-16(23-2)10-17(15)18/h3-8,10,12,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyMKXKHIDIURKQCI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds5

About 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide

2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 113209591) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID113209591
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3ccccc3C)c2c1
InChIInChI=1S/C19H20N2O2/c1-13-5-3-4-6-14(13)11-21-19(22)9-15-12-20-18-8-7-16(23-2)10-17(15)18/h3-8,10,12,20H,9,11H2,1-2H3,(H,21,22)
InChIKeyMKXKHIDIURKQCI-UHFFFAOYSA-N
XLogP3.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide
CID 78890740
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113209654
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide (CID 113209591) is 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide is COc1ccc2[nH]cc(CC(=O)NCc3ccccc3C)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is MKXKHIDIURKQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-5-3-4-6-14(13)11-21-19(22)9-15-12-20-18-8-7-16(23-2)10-17(15)18/h3-8,10,12,20H,9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113209591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).