N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide

C20H24N2O2 — CID 113057667

IUPACN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C20H24N2O2/c1-14-6-5-7-18(13-14)20(24)21-10-11-22(17(4)23)19-9-8-15(2)12-16(19)3/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)
InChIKeyVKMDXPCEZXAICH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide

N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide (PubChem CID 113057667) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
PubChem CID113057667
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C20H24N2O2/c1-14-6-5-7-18(13-14)20(24)21-10-11-22(17(4)23)19-9-8-15(2)12-16(19)3/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)
InChIKeyVKMDXPCEZXAICH-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-(2,4-dimethylphenyl)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113057732
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide (CID 113057667) is N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide is CC(=O)N(CCNC(=O)c1cccc(C)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide?
The InChIKey is VKMDXPCEZXAICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-6-5-7-18(13-14)20(24)21-10-11-22(17(4)23)19-9-8-15(2)12-16(19)3/h5-9,12-13H,10-11H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide?
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide is sourced from PubChem (CID 113057667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).