N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide

C23H21NO3 — CID 985246

IUPACN-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-27-21-13-11-20(12-14-21)24-23(26)16-15-22(25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyRETLSFFPMMWMOJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.96
Rot. Bonds7

About N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide

N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 985246) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID985246
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC NameN-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3/c1-27-21-13-11-20(12-14-21)24-23(26)16-15-22(25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyRETLSFFPMMWMOJ-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide (CID 985246) is N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide is COc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is RETLSFFPMMWMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-21-13-11-20(12-14-21)24-23(26)16-15-22(25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide?
N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 359.43 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 985246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).