1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea

C17H20N2O2 — CID 56765317

IUPAC1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCc1ccccc1)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H20N2O2/c20-16(11-14-7-3-1-4-8-14)13-19-17(21)18-12-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,18,19,21)
InChIKeyXLNQQIXLRYLUFI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.09
Rot. Bonds6

About 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea

1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 56765317) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID56765317
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCc1ccccc1)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H20N2O2/c20-16(11-14-7-3-1-4-8-14)13-19-17(21)18-12-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,18,19,21)
InChIKeyXLNQQIXLRYLUFI-UHFFFAOYSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea (CID 56765317) is 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea is O=C(NCc1ccccc1)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is XLNQQIXLRYLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(11-14-7-3-1-4-8-14)13-19-17(21)18-12-15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,18,19,21).
What are the key properties of 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea?
1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 284.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 56765317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).