1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea

C23H40N2O2 — CID 19597044

IUPAC1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
SMILESCCCCCCCCCCCCCNC(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-23(27)25-20-13-14-21-15-17-22(26)18-16-21/h15-18,26H,2-14,19-20H2,1H3,(H2,24,25,27)
InChIKeyGEXGIQJVHCTKAT-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.93
Rot. Bonds16

About 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea

1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea (PubChem CID 19597044) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
PubChem CID19597044
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC Name1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
SMILESCCCCCCCCCCCCCNC(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-23(27)25-20-13-14-21-15-17-22(26)18-16-21/h15-18,26H,2-14,19-20H2,1H3,(H2,24,25,27)
InChIKeyGEXGIQJVHCTKAT-UHFFFAOYSA-N
XLogP5.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.93
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-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
1-[(4-hydroxyphenyl)methyl]-3-tetratriacontylurea
CID 139845221
1-hentriacontyl-3-[(4-hydroxyphenyl)methyl]urea
CID 139845203
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea?
The IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea (CID 19597044) is 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea is CCCCCCCCCCCCCNC(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea?
The InChIKey is GEXGIQJVHCTKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-23(27)25-20-13-14-21-15-17-22(26)18-16-21/h15-18,26H,2-14,19-20H2,1H3,(H2,24,25,27).
What are the key properties of 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea?
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea has a molecular weight of 376.59 g/mol, XLogP of 5.93, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea is sourced from PubChem (CID 19597044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).