1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea

C18H22N2O2 — CID 111454309

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)N[C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-6-5-7-15(12-14)13-19-18(22)20-17(10-11-21)16-8-3-2-4-9-16/h2-9,12,17,21H,10-11,13H2,1H3,(H2,19,20,22)/t17-/m1/s1
InChIKeyWRSKANDOKBLKHO-QGZVFWFLSA-N
MW298.39 g/mol
LogP2.92
Rot. Bonds6

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea (PubChem CID 111454309) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
PubChem CID111454309
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)N[C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-14-6-5-7-15(12-14)13-19-18(22)20-17(10-11-21)16-8-3-2-4-9-16/h2-9,12,17,21H,10-11,13H2,1H3,(H2,19,20,22)/t17-/m1/s1
InChIKeyWRSKANDOKBLKHO-QGZVFWFLSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
(2S)-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 30121245
N-[(3-methylphenyl)methyl]-2,2-diphenylacetamide
CID 38293786
1-[(5-ethylthiophen-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111454522
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111455236
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895473

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea (CID 111454309) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)N[C@H](CCO)c2ccccc2)c1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea?
The InChIKey is WRSKANDOKBLKHO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-6-5-7-15(12-14)13-19-18(22)20-17(10-11-21)16-8-3-2-4-9-16/h2-9,12,17,21H,10-11,13H2,1H3,(H2,19,20,22)/t17-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea has a molecular weight of 298.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 111454309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).