4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide

C21H27N3O2 — CID 30706648

IUPAC4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2c(C)cccc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)21(26)17-10-12-18(13-11-17)23-19(25)14-22-20-15(3)8-7-9-16(20)4/h7-13,22H,5-6,14H2,1-4H3,(H,23,25)
InChIKeySDNLWHVONFDRJT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.84
Rot. Bonds7

About 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 30706648) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID30706648
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2c(C)cccc2C)cc1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)21(26)17-10-12-18(13-11-17)23-19(25)14-22-20-15(3)8-7-9-16(20)4/h7-13,22H,5-6,14H2,1-4H3,(H,23,25)
InChIKeySDNLWHVONFDRJT-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

4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N-(4-acetylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 109007782
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide (CID 30706648) is 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2c(C)cccc2C)cc1.
What is the InChIKey of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is SDNLWHVONFDRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(6-2)21(26)17-10-12-18(13-11-17)23-19(25)14-22-20-15(3)8-7-9-16(20)4/h7-13,22H,5-6,14H2,1-4H3,(H,23,25).
What are the key properties of 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide?
4-[[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 4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 30706648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).