N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C20H20N2O3 — CID 27186880

IUPACN-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cc(C)c(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1C
InChIInChI=1S/C20H20N2O3/c1-11-10-17(25-4)12(2)9-16(11)22-20(24)19(23)18-13(3)21-15-8-6-5-7-14(15)18/h5-10,21H,1-4H3,(H,22,24)
InChIKeyYKSSAOKJGJNGMN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.92
Rot. Bonds4

About N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 27186880) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID27186880
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cc(C)c(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1C
InChIInChI=1S/C20H20N2O3/c1-11-10-17(25-4)12(2)9-16(11)22-20(24)19(23)18-13(3)21-15-8-6-5-7-14(15)18/h5-10,21H,1-4H3,(H,22,24)
InChIKeyYKSSAOKJGJNGMN-UHFFFAOYSA-N
XLogP3.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-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-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 4916612
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
2-(2-methyl-1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 134052247
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
2-(2-methyl-1H-indol-3-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxoacetamide
CID 121024652
N-methyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 39058857
(2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 29457626
N-(9H-fluoren-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 5297197
N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 6460295
2-(3-methoxy-4-methylbenzoyl)-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
CID 60584722

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 27186880) is N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is COc1cc(C)c(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1C.
What is the InChIKey of N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is YKSSAOKJGJNGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-11-10-17(25-4)12(2)9-16(11)22-20(24)19(23)18-13(3)21-15-8-6-5-7-14(15)18/h5-10,21H,1-4H3,(H,22,24).
What are the key properties of N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 27186880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).