3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide

C19H21N3O3 — CID 131938377

IUPAC3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-4-20-18(24)15-9-8-12(2)17(11-15)22-19(25)14-6-5-7-16(10-14)21-13(3)23/h5-11H,4H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyFFSQBDARKRTGBD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.96
Rot. Bonds5

About 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide

3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide (PubChem CID 131938377) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
PubChem CID131938377
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-4-20-18(24)15-9-8-12(2)17(11-15)22-19(25)14-6-5-7-16(10-14)21-13(3)23/h5-11H,4H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyFFSQBDARKRTGBD-UHFFFAOYSA-N
XLogP2.96
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837717
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide (CID 131938377) is 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide?
The InChIKey is FFSQBDARKRTGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-20-18(24)15-9-8-12(2)17(11-15)22-19(25)14-6-5-7-16(10-14)21-13(3)23/h5-11H,4H2,1-3H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide?
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 131938377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).