N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide

C21H27NO — CID 132650390

IUPACN-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
SMILESCCC(NC(=O)CCc1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO/c1-5-20(19-12-8-16(3)14-17(19)4)22-21(23)13-11-18-9-6-15(2)7-10-18/h6-10,12,14,20H,5,11,13H2,1-4H3,(H,22,23)
InChIKeyXWTAGGODLAYAIM-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.81
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide

N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide (PubChem CID 132650390) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
PubChem CID132650390
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
SMILESCCC(NC(=O)CCc1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO/c1-5-20(19-12-8-16(3)14-17(19)4)22-21(23)13-11-18-9-6-15(2)7-10-18/h6-10,12,14,20H,5,11,13H2,1-4H3,(H,22,23)
InChIKeyXWTAGGODLAYAIM-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 100549740
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242549
N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 132658877
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide (CID 132650390) is N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide is CCC(NC(=O)CCc1ccc(C)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide?
The InChIKey is XWTAGGODLAYAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-20(19-12-8-16(3)14-17(19)4)22-21(23)13-11-18-9-6-15(2)7-10-18/h6-10,12,14,20H,5,11,13H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide?
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide has a molecular weight of 309.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 132650390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).