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

C23H24N2O2 — CID 56765417

IUPAC1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-23(27,20-15-9-4-10-16-20)17-24-22(26)25-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21,27H,17H2,1H3,(H2,24,25,26)
InChIKeyVULDFIWOBWNOJY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.98
Rot. Bonds6

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

1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 56765417) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID56765417
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-23(27,20-15-9-4-10-16-20)17-24-22(26)25-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21,27H,17H2,1H3,(H2,24,25,26)
InChIKeyVULDFIWOBWNOJY-UHFFFAOYSA-N
XLogP3.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.98
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-2-phenylpropyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea (CID 56765417) is 1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea is CC(O)(CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is VULDFIWOBWNOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(27,20-15-9-4-10-16-20)17-24-22(26)25-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21,27H,17H2,1H3,(H2,24,25,26).
What are the key properties of 1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea?
1-benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 360.46 g/mol, XLogP of 3.98, 6 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-2-phenylpropyl)urea is sourced from PubChem (CID 56765417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).