1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea

C16H18N2O2 — CID 111450283

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C16H18N2O2/c19-12-11-15(13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18,20)/t15-/m1/s1
InChIKeyAGHFAZUKOWICNF-OAHLLOKOSA-N
MW270.33 g/mol
LogP2.93
Rot. Bonds5

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea (PubChem CID 111450283) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
PubChem CID111450283
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C16H18N2O2/c19-12-11-15(13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18,20)/t15-/m1/s1
InChIKeyAGHFAZUKOWICNF-OAHLLOKOSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
CID 97014806
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-(4-chloro-3-nitrophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452733
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
CID 75422075

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea (CID 111450283) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea is O=C(Nc1ccccc1)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea?
The InChIKey is AGHFAZUKOWICNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-12-11-15(13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h1-10,15,19H,11-12H2,(H2,17,18,20)/t15-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea has a molecular weight of 270.33 g/mol, XLogP of 2.93, 5 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-phenylurea is sourced from PubChem (CID 111450283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).