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

C19H18N2O4 — CID 10640738

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)
InChIKeyVDAHGXKTABYDOQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.68
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10640738) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID10640738
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23)
InChIKeyVDAHGXKTABYDOQ-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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Related Compounds

N-Feruloyl Serotonin
CID 5969616
Go 6983
CID 3499
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
Bpr-0L075
CID 10359957
Koeniginequinone B
CID 11184822
Del-22379
CID 11224574
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
CID 2176047
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304336

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 10640738) is N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VDAHGXKTABYDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-16-8-7-12(9-17(16)25-2)10-21-19(23)18(22)14-11-20-15-6-4-3-5-13(14)15/h3-9,11,20H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-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 N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10640738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).