1-benzyl-3-(2-phenylethyl)urea

C16H18N2O — CID 3745478

IUPAC1-benzyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,17,18,19)
InChIKeyJZKBURCILYUBHE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.73
Rot. Bonds5

About 1-benzyl-3-(2-phenylethyl)urea

1-benzyl-3-(2-phenylethyl)urea (PubChem CID 3745478) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-benzyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-phenylethyl)urea
PubChem CID3745478
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-benzyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,17,18,19)
InChIKeyJZKBURCILYUBHE-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-benzyl-3-(2-phenylethyl)urea (CID 3745478) is 1-benzyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-benzyl-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-phenylethyl)urea?
The InChIKey is JZKBURCILYUBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2-phenylethyl)urea?
1-benzyl-3-(2-phenylethyl)urea has a molecular weight of 254.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 3745478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).