N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide

C18H20N2O3 — CID 28917301

IUPACN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O3/c1-12-8-9-16(23-3)15(10-12)20-17(21)11-19-18(22)14-7-5-4-6-13(14)2/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyUNNXTJRHLLKAPE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 28917301) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
PubChem CID28917301
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1C
InChIInChI=1S/C18H20N2O3/c1-12-8-9-16(23-3)15(10-12)20-17(21)11-19-18(22)14-7-5-4-6-13(14)2/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyUNNXTJRHLLKAPE-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879
5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550828
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 24673618
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide (CID 28917301) is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1C.
What is the InChIKey of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is UNNXTJRHLLKAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-8-9-16(23-3)15(10-12)20-17(21)11-19-18(22)14-7-5-4-6-13(14)2/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 28917301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).