N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

C21H22N2O4 — CID 24981966

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-13-7-6-8-14(2)20(13)22-18(24)12-23(3)19(25)11-17-15-9-4-5-10-16(15)21(26)27-17/h4-10,17H,11-12H2,1-3H3,(H,22,24)
InChIKeyRPRHFZCAXDGVKB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (PubChem CID 24981966) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
PubChem CID24981966
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-13-7-6-8-14(2)20(13)22-18(24)12-23(3)19(25)11-17-15-9-4-5-10-16(15)21(26)27-17/h4-10,17H,11-12H2,1-3H3,(H,22,24)
InChIKeyRPRHFZCAXDGVKB-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-(2,6-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

(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
methyl 3-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoate
CID 2788215
Ethyl 4-[2-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-1-YL)acetamido]benzoate
CID 16031627
(2S)-N-(4-isopropylphenyl)-5-oxo-1-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrrolidine-2-carboxamide
CID 16399163
methyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]benzoate
CID 699555
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 3295068
Methyl 2-(3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-amido)benzoate
CID 15990911
Methyl 3-((3-(2-amino-2-oxoethylidene)-2-oxoindolin-1-yl)methyl)benzoate
CID 46889990
Ethyl 2-(3-(1,3-dioxoisoindolin-2-yl)propanamido)benzoate
CID 989237
1,3-Dihydro-N-[2-(4-morpholinyl)phenyl]-3-oxo-1-isobenzofuranacetamide
CID 2999418
methyl 2-{[2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]amino}benzoate
CID 16020773

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (CID 24981966) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CC1OC(=O)c2ccccc21.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The InChIKey is RPRHFZCAXDGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-7-6-8-14(2)20(13)22-18(24)12-23(3)19(25)11-17-15-9-4-5-10-16(15)21(26)27-17/h4-10,17H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
N-[2-(2,6-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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is sourced from PubChem (CID 24981966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).