N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide

C23H21NO2 — CID 5003132

IUPACN-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-17-7-5-6-10-21(17)24-23(26)16-15-22(25)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyGGQLRNIZYJTKQH-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.26
Rot. Bonds6

About N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide

N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 5003132) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID5003132
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC NameN-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-17-7-5-6-10-21(17)24-23(26)16-15-22(25)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyGGQLRNIZYJTKQH-UHFFFAOYSA-N
XLogP5.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-methyl-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]benzoate
CID 9378196
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(2-methylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344864
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
2-[[4-(2-methylanilino)-4-oxobutanoyl]amino]acetic acid
CID 82042572
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide (CID 5003132) is N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide is Cc1ccccc1NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is GGQLRNIZYJTKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-17-7-5-6-10-21(17)24-23(26)16-15-22(25)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 343.43 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 5003132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).