3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid

C18H25NO3 — CID 3580170

IUPAC3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)C(=O)NC1CCCCC1
InChIInChI=1S/C18H25NO3/c1-13(14-8-4-2-5-9-14)16(12-17(20)21)18(22)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyYNZKVIRXFSEICD-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.33
Rot. Bonds6

About 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid

3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid (PubChem CID 3580170) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid.

Molecular Properties

Compound Name3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid
PubChem CID3580170
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)C(=O)NC1CCCCC1
InChIInChI=1S/C18H25NO3/c1-13(14-8-4-2-5-9-14)16(12-17(20)21)18(22)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyYNZKVIRXFSEICD-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid?
The IUPAC name of 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid (CID 3580170) is 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid.
What is the SMILES notation for 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid?
The canonical SMILES for 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid is CC(c1ccccc1)C(CC(=O)O)C(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid?
The InChIKey is YNZKVIRXFSEICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(14-8-4-2-5-9-14)16(12-17(20)21)18(22)19-15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid?
3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid has a molecular weight of 303.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoyl)-4-phenylpentanoic acid is sourced from PubChem (CID 3580170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).