3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea

C24H26N2O2 — CID 11760542

IUPAC3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(23(27)21-11-7-4-8-12-21)26(2)24(28)25-22-15-13-20(14-16-22)17-19-9-5-3-6-10-19/h3-16,18,23,27H,17H2,1-2H3,(H,25,28)/t18-,23-/m1/s1
InChIKeyBQUANDATTWVMSL-WZONZLPQSA-N
MW374.48 g/mol
LogP4.86
Rot. Bonds6

About 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea

3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea (PubChem CID 11760542) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
PubChem CID11760542
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(23(27)21-11-7-4-8-12-21)26(2)24(28)25-22-15-13-20(14-16-22)17-19-9-5-3-6-10-19/h3-16,18,23,27H,17H2,1-2H3,(H,25,28)/t18-,23-/m1/s1
InChIKeyBQUANDATTWVMSL-WZONZLPQSA-N
XLogP4.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea?
The IUPAC name of 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea (CID 11760542) is 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea.
What is the SMILES notation for 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea?
The canonical SMILES for 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea is C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea?
The InChIKey is BQUANDATTWVMSL-WZONZLPQSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(23(27)21-11-7-4-8-12-21)26(2)24(28)25-22-15-13-20(14-16-22)17-19-9-5-3-6-10-19/h3-16,18,23,27H,17H2,1-2H3,(H,25,28)/t18-,23-/m1/s1.
What are the key properties of 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea?
3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea has a molecular weight of 374.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea is sourced from PubChem (CID 11760542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).