5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid

C23H21NO3 — CID 2812802

IUPAC5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(15-20(16-23(26)27)18-9-5-2-6-10-18)24-21-13-11-19(12-14-21)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,24,25)(H,26,27)
InChIKeyUBQGNGFDBFSKDU-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.94
Rot. Bonds7

About 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid

5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid (PubChem CID 2812802) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid
PubChem CID2812802
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(15-20(16-23(26)27)18-9-5-2-6-10-18)24-21-13-11-19(12-14-21)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,24,25)(H,26,27)
InChIKeyUBQGNGFDBFSKDU-UHFFFAOYSA-N
XLogP4.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid?
The IUPAC name of 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid (CID 2812802) is 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid.
What is the SMILES notation for 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid?
The canonical SMILES for 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid is O=C(O)CC(CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid?
The InChIKey is UBQGNGFDBFSKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(15-20(16-23(26)27)18-9-5-2-6-10-18)24-21-13-11-19(12-14-21)17-7-3-1-4-8-17/h1-14,20H,15-16H2,(H,24,25)(H,26,27).
What are the key properties of 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid?
5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid has a molecular weight of 359.43 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid is sourced from PubChem (CID 2812802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).