3-(2-hydroxyphenyl)-N-octadecylpropanamide

C27H47NO2 — CID 18326928

IUPAC3-(2-hydroxyphenyl)-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCc1ccccc1O
InChIInChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-28-27(30)23-22-25-20-17-18-21-26(25)29/h17-18,20-21,29H,2-16,19,22-24H2,1H3,(H,28,30)
InChIKeyHJMFIHRPPCATAS-UHFFFAOYSA-N
MW417.68 g/mol
LogP7.70
Rot. Bonds20

About 3-(2-hydroxyphenyl)-N-octadecylpropanamide

3-(2-hydroxyphenyl)-N-octadecylpropanamide (PubChem CID 18326928) has the molecular formula C27H47NO2 and a molecular weight of 417.68 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-octadecylpropanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-octadecylpropanamide
PubChem CID18326928
Molecular FormulaC27H47NO2
Molecular Weight417.68 g/mol
Exact Mass417.36
IUPAC Name3-(2-hydroxyphenyl)-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCc1ccccc1O
InChIInChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-28-27(30)23-22-25-20-17-18-21-26(25)29/h17-18,20-21,29H,2-16,19,22-24H2,1H3,(H,28,30)
InChIKeyHJMFIHRPPCATAS-UHFFFAOYSA-N
XLogP7.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 57.70
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-(2-hydroxyphenyl)-N-octadecylpropanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-octadecylpropanamide (CID 18326928) is 3-(2-hydroxyphenyl)-N-octadecylpropanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-octadecylpropanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-octadecylpropanamide is CCCCCCCCCCCCCCCCCCNC(=O)CCc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-octadecylpropanamide?
The InChIKey is HJMFIHRPPCATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-28-27(30)23-22-25-20-17-18-21-26(25)29/h17-18,20-21,29H,2-16,19,22-24H2,1H3,(H,28,30).
What are the key properties of 3-(2-hydroxyphenyl)-N-octadecylpropanamide?
3-(2-hydroxyphenyl)-N-octadecylpropanamide has a molecular weight of 417.68 g/mol, XLogP of 7.70, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-octadecylpropanamide is sourced from PubChem (CID 18326928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).