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

C23H24N2O2 — CID 56765331

IUPAC1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCC(O)Cc1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c26-21(16-18-10-4-1-5-11-18)17-24-23(27)25-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26H,16-17H2,(H2,24,25,27)
InChIKeyOZJDMEZVZPEZAU-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.68
Rot. Bonds7

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

1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 56765331) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID56765331
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCC(O)Cc1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c26-21(16-18-10-4-1-5-11-18)17-24-23(27)25-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26H,16-17H2,(H2,24,25,27)
InChIKeyOZJDMEZVZPEZAU-UHFFFAOYSA-N
XLogP3.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea (CID 56765331) is 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea is O=C(NCC(O)Cc1ccccc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is OZJDMEZVZPEZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-21(16-18-10-4-1-5-11-18)17-24-23(27)25-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22,26H,16-17H2,(H2,24,25,27).
What are the key properties of 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea?
1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 360.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 56765331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).