4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C19H22N4O3 — CID 54840537

IUPAC4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H22N4O3/c1-13(24)21-16-5-4-6-17(11-16)22-18(25)12-20-15-9-7-14(8-10-15)19(26)23(2)3/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyIQKUIBNBWSMTLL-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.40
Rot. Bonds6

About 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 54840537) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID54840537
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H22N4O3/c1-13(24)21-16-5-4-6-17(11-16)22-18(25)12-20-15-9-7-14(8-10-15)19(26)23(2)3/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyIQKUIBNBWSMTLL-UHFFFAOYSA-N
XLogP2.40
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 24614766
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 54840537) is 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is CC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is IQKUIBNBWSMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(24)21-16-5-4-6-17(11-16)22-18(25)12-20-15-9-7-14(8-10-15)19(26)23(2)3/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54840537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).