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

C20H22N2O4 — CID 113212208

IUPACN-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C20H22N2O4/c1-12-15(16-9-13(24-2)5-7-17(16)21-12)11-20(23)22-18-10-14(25-3)6-8-19(18)26-4/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyPRHUHKMMKQWSGD-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.68
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 113212208) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
PubChem CID113212208
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)c1
InChIInChI=1S/C20H22N2O4/c1-12-15(16-9-13(24-2)5-7-17(16)21-12)11-20(23)22-18-10-14(25-3)6-8-19(18)26-4/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyPRHUHKMMKQWSGD-UHFFFAOYSA-N
XLogP3.68
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
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-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212246
methyl 3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212219
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
hexanal;N-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 87733526
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
2-[[2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoic acid
CID 10133618

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide (CID 113212208) is N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide is COc1ccc(OC)c(NC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is PRHUHKMMKQWSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-15(16-9-13(24-2)5-7-17(16)21-12)11-20(23)22-18-10-14(25-3)6-8-19(18)26-4/h5-10,21H,11H2,1-4H3,(H,22,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113212208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).