N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide

C18H20N2O3 — CID 46755786

IUPACN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-9-16(13(2)10-12)20-17(21)11-19-18(22)14-5-7-15(23-3)8-6-14/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQHNJWKCXHXJQOL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide

N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 46755786) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID46755786
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-9-16(13(2)10-12)20-17(21)11-19-18(22)14-5-7-15(23-3)8-6-14/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyQHNJWKCXHXJQOL-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

Analyze N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide 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

4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
CID 112996377
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
CID 27253344
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780544
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46755792
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790
N-[2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
CID 5219888

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide (CID 46755786) is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is QHNJWKCXHXJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-9-16(13(2)10-12)20-17(21)11-19-18(22)14-5-7-15(23-3)8-6-14/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide?
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide 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-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 46755786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).