N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

C21H22N2O4 — CID 3295068

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CC2OC(=O)c3ccccc32)c1
InChIInChI=1S/C21H22N2O4/c1-13-8-9-14(2)17(10-13)22-19(24)12-23(3)20(25)11-18-15-6-4-5-7-16(15)21(26)27-18/h4-10,18H,11-12H2,1-3H3,(H,22,24)
InChIKeyYIFSCWSUSDTOHI-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (PubChem CID 3295068) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
PubChem CID3295068
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CC2OC(=O)c3ccccc32)c1
InChIInChI=1S/C21H22N2O4/c1-13-8-9-14(2)17(10-13)22-19(24)12-23(3)20(25)11-18-15-6-4-5-7-16(15)21(26)27-18/h4-10,18H,11-12H2,1-3H3,(H,22,24)
InChIKeyYIFSCWSUSDTOHI-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide 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

[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
(2S)-N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrrolidine-2-carboxamide
CID 16399068
2-{2-[4-(2-Methyl-benzoylamino)-piperidin-1-yl]-acetylamino}-benzoic acid methyl ester
CID 651058
Dimethyl 2-(2-(benzyl(methyl)amino)acetamido)terephthalate
CID 2133553
Ethyl 4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788214
methyl 3-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoate
CID 2788215
Dimethyl 2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 2998756
[2-[[2-(2,3-Dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 4857553
Ethyl 4-[2-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-1-YL)acetamido]benzoate
CID 16031627
Methyl 3-[[1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
CID 16314326
(2S)-N-(3-fluorophenyl)-5-oxo-1-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrrolidine-2-carboxamide
CID 16398559
(2S)-N-(4-isopropylphenyl)-5-oxo-1-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrrolidine-2-carboxamide
CID 16399163

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (CID 3295068) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CC2OC(=O)c3ccccc32)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The InChIKey is YIFSCWSUSDTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-8-9-14(2)17(10-13)22-19(24)12-23(3)20(25)11-18-15-6-4-5-7-16(15)21(26)27-18/h4-10,18H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is sourced from PubChem (CID 3295068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).