N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide

C18H20N2O4 — CID 46418355

IUPACN-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-20(12-17(21)19-14-7-5-4-6-8-14)18(22)13-9-10-15(23-2)16(11-13)24-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyOHKZNPIGLAIMLL-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.41
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide

N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide (PubChem CID 46418355) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
PubChem CID46418355
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-20(12-17(21)19-14-7-5-4-6-8-14)18(22)13-9-10-15(23-2)16(11-13)24-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyOHKZNPIGLAIMLL-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 86883563
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 31619702
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 55637435
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86979366
N-(2-anilino-2-oxoethyl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46425050

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide (CID 46418355) is N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is OHKZNPIGLAIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-20(12-17(21)19-14-7-5-4-6-8-14)18(22)13-9-10-15(23-2)16(11-13)24-3/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide?
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 46418355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).