N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide

C18H20N2O2 — CID 17257324

IUPACN-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O2/c1-4-17(21)19-15-9-7-14(8-10-15)18(22)20-16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJYHTZVDIUAIIPW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.90
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide

N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide (PubChem CID 17257324) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
PubChem CID17257324
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O2/c1-4-17(21)19-15-9-7-14(8-10-15)18(22)20-16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJYHTZVDIUAIIPW-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(2,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309132
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062388
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846091

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide (CID 17257324) is N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide?
The InChIKey is JYHTZVDIUAIIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-17(21)19-15-9-7-14(8-10-15)18(22)20-16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide?
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 17257324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).