N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide

C28H48N2O3 — CID 18983792

IUPACN'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C28H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-27(32)28(33)30-24-22-25-18-20-26(31)21-19-25/h18-21,31H,2-17,22-24H2,1H3,(H,29,32)(H,30,33)
InChIKeyKSSYZOBOACBTHE-UHFFFAOYSA-N
MW460.70 g/mol
LogP6.43
Rot. Bonds20

About N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide

N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide (PubChem CID 18983792) has the molecular formula C28H48N2O3 and a molecular weight of 460.70 g/mol. Its IUPAC name is N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide.

Molecular Properties

Compound NameN'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
PubChem CID18983792
Molecular FormulaC28H48N2O3
Molecular Weight460.70 g/mol
Exact Mass460.37
IUPAC NameN'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C28H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-27(32)28(33)30-24-22-25-18-20-26(31)21-19-25/h18-21,31H,2-17,22-24H2,1H3,(H,29,32)(H,30,33)
InChIKeyKSSYZOBOACBTHE-UHFFFAOYSA-N
XLogP6.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 56.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N-docosyl-N'-[(4-hydroxyphenyl)methyl]oxamide
CID 19597122
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide?
The IUPAC name of N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide (CID 18983792) is N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide.
What is the SMILES notation for N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide?
The canonical SMILES for N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide is CCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide?
The InChIKey is KSSYZOBOACBTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-27(32)28(33)30-24-22-25-18-20-26(31)21-19-25/h18-21,31H,2-17,22-24H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide?
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide has a molecular weight of 460.70 g/mol, XLogP of 6.43, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide is sourced from PubChem (CID 18983792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).