1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C18H22N2O3 — CID 110924433

IUPAC1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NCCc1cccc(O)c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-16(11-14-5-2-1-3-6-14)20-18(23)19-10-9-15-7-4-8-17(22)12-15/h1-8,12,16,21-22H,9-11,13H2,(H2,19,20,23)
InChIKeyJWNLQBVYBCLYGV-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.84
Rot. Bonds7

About 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 110924433) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID110924433
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(NCCc1cccc(O)c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-13-16(11-14-5-2-1-3-6-14)20-18(23)19-10-9-15-7-4-8-17(22)12-15/h1-8,12,16,21-22H,9-11,13H2,(H2,19,20,23)
InChIKeyJWNLQBVYBCLYGV-UHFFFAOYSA-N
XLogP1.84
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-[(2S)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-(2-phenylethyl)urea
CID 92865381
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111108502
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
CID 91650522
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111976858
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 110924433) is 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is O=C(NCCc1cccc(O)c1)NC(CO)Cc1ccccc1.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is JWNLQBVYBCLYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-16(11-14-5-2-1-3-6-14)20-18(23)19-10-9-15-7-4-8-17(22)12-15/h1-8,12,16,21-22H,9-11,13H2,(H2,19,20,23).
What are the key properties of 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 110924433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).