3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide

C19H23NO2 — CID 10661731

IUPAC3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NCCCCc1ccccc1
InChIInChI=1S/C19H23NO2/c21-18-12-9-17(10-13-18)11-14-19(22)20-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,12-13,21H,4-5,8,11,14-15H2,(H,20,22)
InChIKeyCMOUPFKUPUESAH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.46
Rot. Bonds8

About 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide

3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide (PubChem CID 10661731) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide
PubChem CID10661731
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NCCCCc1ccccc1
InChIInChI=1S/C19H23NO2/c21-18-12-9-17(10-13-18)11-14-19(22)20-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,12-13,21H,4-5,8,11,14-15H2,(H,20,22)
InChIKeyCMOUPFKUPUESAH-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide (CID 10661731) is 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide is O=C(CCc1ccc(O)cc1)NCCCCc1ccccc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide?
The InChIKey is CMOUPFKUPUESAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-12-9-17(10-13-18)11-14-19(22)20-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,12-13,21H,4-5,8,11,14-15H2,(H,20,22).
What are the key properties of 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide?
3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-(4-phenylbutyl)propanamide is sourced from PubChem (CID 10661731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).