3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide

C19H22N2O2 — CID 24620392

IUPAC3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-8-15(14(2)11-13)9-10-18(22)21-17-6-4-5-16(12-17)19(23)20-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeySIUJLOOJMOCMSE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.23
Rot. Bonds5

About 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide

3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide (PubChem CID 24620392) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide
PubChem CID24620392
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-8-15(14(2)11-13)9-10-18(22)21-17-6-4-5-16(12-17)19(23)20-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeySIUJLOOJMOCMSE-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33155134
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24647268
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide (CID 24620392) is 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CCc2ccc(C)cc2C)c1.
What is the InChIKey of 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide?
The InChIKey is SIUJLOOJMOCMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-7-8-15(14(2)11-13)9-10-18(22)21-17-6-4-5-16(12-17)19(23)20-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide?
3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 24620392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).