N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide

C20H20N2O4 — CID 10570003

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-22-12-15(14-6-4-5-7-16(14)22)19(23)20(24)21-11-13-8-9-17(25-2)18(10-13)26-3/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyCYQZTKHYHXDRAQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.69
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 10570003) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID10570003
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-22-12-15(14-6-4-5-7-16(14)22)19(23)20(24)21-11-13-8-9-17(25-2)18(10-13)26-3/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyCYQZTKHYHXDRAQ-UHFFFAOYSA-N
XLogP2.69
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 10570003) is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2cn(C)c3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is CYQZTKHYHXDRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22-12-15(14-6-4-5-7-16(14)22)19(23)20(24)21-11-13-8-9-17(25-2)18(10-13)26-3/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 352.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10570003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).