3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide

C18H20N4O3 — CID 37176425

IUPAC3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H20N4O3/c1-12(23)21-16-8-4-6-14(10-16)20-11-17(24)22-15-7-3-5-13(9-15)18(25)19-2/h3-10,20H,11H2,1-2H3,(H,19,25)(H,21,23)(H,22,24)
InChIKeyJFXMOFGQGXGEJC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.06
Rot. Bonds6

About 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide (PubChem CID 37176425) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
PubChem CID37176425
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H20N4O3/c1-12(23)21-16-8-4-6-14(10-16)20-11-17(24)22-15-7-3-5-13(9-15)18(25)19-2/h3-10,20H,11H2,1-2H3,(H,19,25)(H,21,23)(H,22,24)
InChIKeyJFXMOFGQGXGEJC-UHFFFAOYSA-N
XLogP2.06
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54839782
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
CID 52704961
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide (CID 37176425) is 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CNc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide?
The InChIKey is JFXMOFGQGXGEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)21-16-8-4-6-14(10-16)20-11-17(24)22-15-7-3-5-13(9-15)18(25)19-2/h3-10,20H,11H2,1-2H3,(H,19,25)(H,21,23)(H,22,24).
What are the key properties of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide?
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 37176425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).