N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide

C18H16N2O3 — CID 113208378

IUPACN-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C18H16N2O3/c1-23-13-7-8-16-14(9-13)15(11-19-16)17(21)18(22)20-10-12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3,(H,20,22)
InChIKeyVHNPGGNQURTNKD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.68
Rot. Bonds5

About N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide

N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208378) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208378
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C18H16N2O3/c1-23-13-7-8-16-14(9-13)15(11-19-16)17(21)18(22)20-10-12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3,(H,20,22)
InChIKeyVHNPGGNQURTNKD-UHFFFAOYSA-N
XLogP2.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
ethyl (2S)-2-[[2-(5-methoxy-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate
CID 14541515
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438
N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208457
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
CID 16867077
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide (CID 113208378) is N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide is COc1ccc2[nH]cc(C(=O)C(=O)NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VHNPGGNQURTNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-13-7-8-16-14(9-13)15(11-19-16)17(21)18(22)20-10-12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3,(H,20,22).
What are the key properties of N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 308.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).