1,1,3-tris(2-phenylethyl)urea

C25H28N2O — CID 123287811

IUPAC1,1,3-tris(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C25H28N2O/c28-25(26-19-16-22-10-4-1-5-11-22)27(20-17-23-12-6-2-7-13-23)21-18-24-14-8-3-9-15-24/h1-15H,16-21H2,(H,26,28)
InChIKeyWDXKZSDEVGDJBV-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.73
Rot. Bonds9

About 1,1,3-tris(2-phenylethyl)urea

1,1,3-tris(2-phenylethyl)urea (PubChem CID 123287811) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1,1,3-tris(2-phenylethyl)urea.

Molecular Properties

Compound Name1,1,3-tris(2-phenylethyl)urea
PubChem CID123287811
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1,1,3-tris(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C25H28N2O/c28-25(26-19-16-22-10-4-1-5-11-22)27(20-17-23-12-6-2-7-13-23)21-18-24-14-8-3-9-15-24/h1-15H,16-21H2,(H,26,28)
InChIKeyWDXKZSDEVGDJBV-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122021626
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
CID 47075715
1-benzyl-1,3-bis(2-phenylethyl)thiourea
CID 7941441
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-phenylethylcarbamothioic S-acid
CID 11116669
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120512997

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tris(2-phenylethyl)urea?
The IUPAC name of 1,1,3-tris(2-phenylethyl)urea (CID 123287811) is 1,1,3-tris(2-phenylethyl)urea.
What is the SMILES notation for 1,1,3-tris(2-phenylethyl)urea?
The canonical SMILES for 1,1,3-tris(2-phenylethyl)urea is O=C(NCCc1ccccc1)N(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 1,1,3-tris(2-phenylethyl)urea?
The InChIKey is WDXKZSDEVGDJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c28-25(26-19-16-22-10-4-1-5-11-22)27(20-17-23-12-6-2-7-13-23)21-18-24-14-8-3-9-15-24/h1-15H,16-21H2,(H,26,28).
What are the key properties of 1,1,3-tris(2-phenylethyl)urea?
1,1,3-tris(2-phenylethyl)urea has a molecular weight of 372.51 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tris(2-phenylethyl)urea is sourced from PubChem (CID 123287811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).