4-phenyl-3-(phenylcarbamoyl)pentanoic acid

C18H19NO3 — CID 21230650

IUPAC4-phenyl-3-(phenylcarbamoyl)pentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)16(12-17(20)21)18(22)19-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyZUSGNHXVBOLLKW-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.52
Rot. Bonds6

About 4-phenyl-3-(phenylcarbamoyl)pentanoic acid

4-phenyl-3-(phenylcarbamoyl)pentanoic acid (PubChem CID 21230650) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-phenyl-3-(phenylcarbamoyl)pentanoic acid.

Molecular Properties

Compound Name4-phenyl-3-(phenylcarbamoyl)pentanoic acid
PubChem CID21230650
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-phenyl-3-(phenylcarbamoyl)pentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)16(12-17(20)21)18(22)19-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyZUSGNHXVBOLLKW-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(phenylcarbamoyl)pentanoic acid?
The IUPAC name of 4-phenyl-3-(phenylcarbamoyl)pentanoic acid (CID 21230650) is 4-phenyl-3-(phenylcarbamoyl)pentanoic acid.
What is the SMILES notation for 4-phenyl-3-(phenylcarbamoyl)pentanoic acid?
The canonical SMILES for 4-phenyl-3-(phenylcarbamoyl)pentanoic acid is CC(c1ccccc1)C(CC(=O)O)C(=O)Nc1ccccc1.
What is the InChIKey of 4-phenyl-3-(phenylcarbamoyl)pentanoic acid?
The InChIKey is ZUSGNHXVBOLLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(14-8-4-2-5-9-14)16(12-17(20)21)18(22)19-15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-phenyl-3-(phenylcarbamoyl)pentanoic acid?
4-phenyl-3-(phenylcarbamoyl)pentanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(phenylcarbamoyl)pentanoic acid is sourced from PubChem (CID 21230650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).