1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea

C17H20N2O2 — CID 95368108

IUPAC1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea
SMILESC[C@](O)(CNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(21,15-10-6-3-7-11-15)13-19-16(20)18-12-14-8-4-2-5-9-14/h2-11,21H,12-13H2,1H3,(H2,18,19,20)/t17-/m0/s1
InChIKeyBHIMIUCCDMQQBR-KRWDZBQOSA-N
MW284.36 g/mol
LogP2.39
Rot. Bonds5

About 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea

1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea (PubChem CID 95368108) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea
PubChem CID95368108
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea
SMILESC[C@](O)(CNC(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(21,15-10-6-3-7-11-15)13-19-16(20)18-12-14-8-4-2-5-9-14/h2-11,21H,12-13H2,1H3,(H2,18,19,20)/t17-/m0/s1
InChIKeyBHIMIUCCDMQQBR-KRWDZBQOSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea?
The IUPAC name of 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea (CID 95368108) is 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea?
The canonical SMILES for 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea is C[C@](O)(CNC(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea?
The InChIKey is BHIMIUCCDMQQBR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(21,15-10-6-3-7-11-15)13-19-16(20)18-12-14-8-4-2-5-9-14/h2-11,21H,12-13H2,1H3,(H2,18,19,20)/t17-/m0/s1.
What are the key properties of 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea?
1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea has a molecular weight of 284.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-2-hydroxy-2-phenylpropyl]urea is sourced from PubChem (CID 95368108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).