N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide

C18H20N4O3 — CID 54846159

IUPACN-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-19-17(24)12-6-8-14(9-7-12)21-11-16(23)22-15-5-3-4-13(10-15)18(25)20-2/h3-10,21H,11H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)
InChIKeyPZYRSJOSCYUSEZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.46
Rot. Bonds6

About N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide

N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54846159) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54846159
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-19-17(24)12-6-8-14(9-7-12)21-11-16(23)22-15-5-3-4-13(10-15)18(25)20-2/h3-10,21H,11H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)
InChIKeyPZYRSJOSCYUSEZ-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54811072
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54839782
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54846159) is N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide is CNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC)c2)cc1.
What is the InChIKey of N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is PZYRSJOSCYUSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-19-17(24)12-6-8-14(9-7-12)21-11-16(23)22-15-5-3-4-13(10-15)18(25)20-2/h3-10,21H,11H2,1-2H3,(H,19,24)(H,20,25)(H,22,23).
What are the key properties of N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide?
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 340.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54846159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).