2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

C19H18N2O4 — CID 11024224

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H18N2O4/c1-24-13-5-3-12(4-6-13)10-21-19(23)18(22)16-11-20-17-8-7-14(25-2)9-15(16)17/h3-9,11,20H,10H2,1-2H3,(H,21,23)
InChIKeyFYUWCXJSGSBNFL-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.68
Rot. Bonds6

About 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 11024224) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID11024224
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H18N2O4/c1-24-13-5-3-12(4-6-13)10-21-19(23)18(22)16-11-20-17-8-7-14(25-2)9-15(16)17/h3-9,11,20H,10H2,1-2H3,(H,21,23)
InChIKeyFYUWCXJSGSBNFL-UHFFFAOYSA-N
XLogP2.68
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (CID 11024224) is 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is FYUWCXJSGSBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-13-5-3-12(4-6-13)10-21-19(23)18(22)16-11-20-17-8-7-14(25-2)9-15(16)17/h3-9,11,20H,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 338.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 11024224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).