4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C20H25N3O2 — CID 26527454

IUPAC4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-5-15-8-6-7-14(2)19(15)22-18(24)13-21-17-11-9-16(10-12-17)20(25)23(3)4/h6-12,21H,5,13H2,1-4H3,(H,22,24)
InChIKeyVRZNWWHFXYWPBS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.31
Rot. Bonds6

About 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 26527454) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID26527454
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-5-15-8-6-7-14(2)19(15)22-18(24)13-21-17-11-9-16(10-12-17)20(25)23(3)4/h6-12,21H,5,13H2,1-4H3,(H,22,24)
InChIKeyVRZNWWHFXYWPBS-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 109007808
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(4-acetylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 109007782
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]-N-methylbenzamide
CID 33004733
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 26527454) is 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is CCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is VRZNWWHFXYWPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-15-8-6-7-14(2)19(15)22-18(24)13-21-17-11-9-16(10-12-17)20(25)23(3)4/h6-12,21H,5,13H2,1-4H3,(H,22,24).
What are the key properties of 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 26527454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).