3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide

C18H20N4O3 — CID 54840717

IUPAC3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-22(2)18(25)12-6-8-14(9-7-12)20-11-16(23)21-15-5-3-4-13(10-15)17(19)24/h3-10,20H,11H2,1-2H3,(H2,19,24)(H,21,23)
InChIKeyCXTMXOYLFITHNU-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.54
Rot. Bonds6

About 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide

3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54840717) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54840717
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-22(2)18(25)12-6-8-14(9-7-12)20-11-16(23)21-15-5-3-4-13(10-15)17(19)24/h3-10,20H,11H2,1-2H3,(H2,19,24)(H,21,23)
InChIKeyCXTMXOYLFITHNU-UHFFFAOYSA-N
XLogP1.54
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
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
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
CID 54811372
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
N,N-dimethyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54840817
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54840717) is 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is CXTMXOYLFITHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22(2)18(25)12-6-8-14(9-7-12)20-11-16(23)21-15-5-3-4-13(10-15)17(19)24/h3-10,20H,11H2,1-2H3,(H2,19,24)(H,21,23).
What are the key properties of 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide?
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 340.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54840717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).