N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

C19H18N2O2 — CID 113207729

IUPACN-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2cn(C)c3ccccc23)cc1C
InChIInChI=1S/C19H18N2O2/c1-12-8-9-14(10-13(12)2)20-19(23)18(22)16-11-21(3)17-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,20,23)
InChIKeyWZANDRQJWSEEPS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.62
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 113207729) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID113207729
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2cn(C)c3ccccc23)cc1C
InChIInChI=1S/C19H18N2O2/c1-12-8-9-14(10-13(12)2)20-19(23)18(22)16-11-21(3)17-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,20,23)
InChIKeyWZANDRQJWSEEPS-UHFFFAOYSA-N
XLogP3.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 113207729) is N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2cn(C)c3ccccc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is WZANDRQJWSEEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-8-9-14(10-13(12)2)20-19(23)18(22)16-11-21(3)17-7-5-4-6-15(16)17/h4-11H,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 306.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113207729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).