N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide

C18H21NO — CID 170112868

IUPACN-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccc(C)cc2)ccc1C
InChIInChI=1S/C18H21NO/c1-4-5-18(20)19-17-12-16(11-8-14(17)3)15-9-6-13(2)7-10-15/h6-12H,4-5H2,1-3H3,(H,19,20)
InChIKeyKFFHGQPQRGDLIC-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.71
Rot. Bonds4

About N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide

N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide (PubChem CID 170112868) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
PubChem CID170112868
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccc(C)cc2)ccc1C
InChIInChI=1S/C18H21NO/c1-4-5-18(20)19-17-12-16(11-8-14(17)3)15-9-6-13(2)7-10-15/h6-12H,4-5H2,1-3H3,(H,19,20)
InChIKeyKFFHGQPQRGDLIC-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
CID 146052827
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]butanamide
CID 62104147
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2-(butanoylamino)-5-[4-(butanoylamino)-3-carboxylatophenyl]benzoate
CID 6982576
N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide
CID 3323455
4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
CID 120565245

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide?
The IUPAC name of N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide (CID 170112868) is N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide.
What is the SMILES notation for N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide?
The canonical SMILES for N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide is CCCC(=O)Nc1cc(-c2ccc(C)cc2)ccc1C.
What is the InChIKey of N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide?
The InChIKey is KFFHGQPQRGDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-5-18(20)19-17-12-16(11-8-14(17)3)15-9-6-13(2)7-10-15/h6-12H,4-5H2,1-3H3,(H,19,20).
What are the key properties of N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide?
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide has a molecular weight of 267.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide is sourced from PubChem (CID 170112868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).