3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide

C20H23NO2 — CID 155563394

IUPAC3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide
SMILESO=C(CCC1CCCC1)Nc1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C20H23NO2/c22-19-12-11-17(16-8-2-1-3-9-16)14-18(19)21-20(23)13-10-15-6-4-5-7-15/h1-3,8-9,11-12,14-15,22H,4-7,10,13H2,(H,21,23)
InChIKeyMXBIDRTVQTZCSA-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.97
Rot. Bonds5

About 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide

3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide (PubChem CID 155563394) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide
PubChem CID155563394
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide
SMILESO=C(CCC1CCCC1)Nc1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C20H23NO2/c22-19-12-11-17(16-8-2-1-3-9-16)14-18(19)21-20(23)13-10-15-6-4-5-7-15/h1-3,8-9,11-12,14-15,22H,4-7,10,13H2,(H,21,23)
InChIKeyMXBIDRTVQTZCSA-UHFFFAOYSA-N
XLogP4.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide (CID 155563394) is 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide is O=C(CCC1CCCC1)Nc1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide?
The InChIKey is MXBIDRTVQTZCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-19-12-11-17(16-8-2-1-3-9-16)14-18(19)21-20(23)13-10-15-6-4-5-7-15/h1-3,8-9,11-12,14-15,22H,4-7,10,13H2,(H,21,23).
What are the key properties of 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide?
3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide has a molecular weight of 309.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-hydroxy-5-phenylphenyl)propanamide is sourced from PubChem (CID 155563394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).