2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide

C19H20N2O3 — CID 113212201

IUPAC2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C19H20N2O3/c1-12-16(17-10-15(24-3)7-8-18(17)20-12)11-19(22)21-13-5-4-6-14(9-13)23-2/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyPDXZPGRWWUJABF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.67
Rot. Bonds5

About 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 113212201) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID113212201
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C19H20N2O3/c1-12-16(17-10-15(24-3)7-8-18(17)20-12)11-19(22)21-13-5-4-6-14(9-13)23-2/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyPDXZPGRWWUJABF-UHFFFAOYSA-N
XLogP3.67
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212219
N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212259
N-(3,4-dichlorophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212248
N-(1,3-benzodioxol-5-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212238
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
CID 3655714
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212246
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
(3S)-4-[4-[bis[4-[[(2S)-3-carboxy-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]propanoyl]amino]phenyl]methyl]anilino]-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
CID 20779523

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide (CID 113212201) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)c1.
What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is PDXZPGRWWUJABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-16(17-10-15(24-3)7-8-18(17)20-12)11-19(22)21-13-5-4-6-14(9-13)23-2/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113212201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).