2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

C20H20N2O3 — CID 976850

IUPAC2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(C)c(C=O)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-13-8-9-19(25-3)17(10-13)21-20(24)11-22-14(2)16(12-23)15-6-4-5-7-18(15)22/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyHYCJHBQAOGFFGI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.72
Rot. Bonds5

About 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 976850) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID976850
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(C)c(C=O)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-13-8-9-19(25-3)17(10-13)21-20(24)11-22-14(2)16(12-23)15-6-4-5-7-18(15)22/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyHYCJHBQAOGFFGI-UHFFFAOYSA-N
XLogP3.72
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802610
N-(2,3-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 965806
N-(2,5-dichlorophenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 4201665
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285
2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46550854
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56685527
2-(2-formylpyrrol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 71683676
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
2-(3-formyl-2-methylindol-1-yl)acetate
CID 5175467
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 25287384
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9119353

Frequently Asked Questions

What is the IUPAC name of 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 976850) is 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1c(C)c(C=O)c2ccccc21.
What is the InChIKey of 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is HYCJHBQAOGFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-8-9-19(25-3)17(10-13)21-20(24)11-22-14(2)16(12-23)15-6-4-5-7-18(15)22/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formyl-2-methylindol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 976850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).