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

C21H27N3O2 — CID 54818144

IUPAC3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2c(C)cccc2C)c1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)21(26)17-11-8-12-18(13-17)23-19(25)14-22-20-15(3)9-7-10-16(20)4/h7-13,22H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyXDYAHAANBYJYBA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.84
Rot. Bonds7

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

3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 54818144) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID54818144
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2c(C)cccc2C)c1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)21(26)17-11-8-12-18(13-17)23-19(25)14-22-20-15(3)9-7-10-16(20)4/h7-13,22H,5-6,14H2,1-4H3,(H,23,25)
InChIKeyXDYAHAANBYJYBA-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide (CID 54818144) is 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNc2c(C)cccc2C)c1.
What is the InChIKey of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is XDYAHAANBYJYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(6-2)21(26)17-11-8-12-18(13-17)23-19(25)14-22-20-15(3)9-7-10-16(20)4/h7-13,22H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of 3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.84, 7 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-diethylbenzamide is sourced from PubChem (CID 54818144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).