1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea

C27H48N2O2 — CID 18183954

IUPAC1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
SMILESCCCCCCCCCCNC(=O)NCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C27H48N2O2/c1-2-3-4-5-6-10-13-16-23-28-27(31)29-24-17-14-11-8-7-9-12-15-18-25-19-21-26(30)22-20-25/h19-22,30H,2-18,23-24H2,1H3,(H2,28,29,31)
InChIKeyRIISJAOEWYIENA-UHFFFAOYSA-N
MW432.69 g/mol
LogP7.50
Rot. Bonds20

About 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea

1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea (PubChem CID 18183954) has the molecular formula C27H48N2O2 and a molecular weight of 432.69 g/mol. Its IUPAC name is 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea.

Molecular Properties

Compound Name1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
PubChem CID18183954
Molecular FormulaC27H48N2O2
Molecular Weight432.69 g/mol
Exact Mass432.37
IUPAC Name1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
SMILESCCCCCCCCCCNC(=O)NCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C27H48N2O2/c1-2-3-4-5-6-10-13-16-23-28-27(31)29-24-17-14-11-8-7-9-12-15-18-25-19-21-26(30)22-20-25/h19-22,30H,2-18,23-24H2,1H3,(H2,28,29,31)
InChIKeyRIISJAOEWYIENA-UHFFFAOYSA-N
XLogP7.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 57.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea?
The IUPAC name of 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea (CID 18183954) is 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea.
What is the SMILES notation for 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea?
The canonical SMILES for 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea is CCCCCCCCCCNC(=O)NCCCCCCCCCCc1ccc(O)cc1.
What is the InChIKey of 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea?
The InChIKey is RIISJAOEWYIENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O2/c1-2-3-4-5-6-10-13-16-23-28-27(31)29-24-17-14-11-8-7-9-12-15-18-25-19-21-26(30)22-20-25/h19-22,30H,2-18,23-24H2,1H3,(H2,28,29,31).
What are the key properties of 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea?
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea has a molecular weight of 432.69 g/mol, XLogP of 7.50, 20 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea is sourced from PubChem (CID 18183954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).