3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide

C19H23N3O2 — CID 32908676

IUPAC3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cccc(C)c1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-13-7-5-8-14(2)18(13)20-12-17(23)21-16-10-6-9-15(11-16)19(24)22(3)4/h5-11,20H,12H2,1-4H3,(H,21,23)
InChIKeyJIEICNBMTNVFHN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.06
Rot. Bonds5

About 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 32908676) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID32908676
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cccc(C)c1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H23N3O2/c1-13-7-5-8-14(2)18(13)20-12-17(23)21-16-10-6-9-15(11-16)19(24)22(3)4/h5-11,20H,12H2,1-4H3,(H,21,23)
InChIKeyJIEICNBMTNVFHN-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 60587775
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
N,N-dimethyl-3-[[2-(2-methyl-5-methylsulfonylanilino)acetyl]amino]benzamide
CID 29471513
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 32908676) is 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide is Cc1cccc(C)c1NCC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is JIEICNBMTNVFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-7-5-8-14(2)18(13)20-12-17(23)21-16-10-6-9-15(11-16)19(24)22(3)4/h5-11,20H,12H2,1-4H3,(H,21,23).
What are the key properties of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 32908676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).