[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea

C15H16N2O2 — CID 11097193

IUPAC[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
SMILESNC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H16N2O2/c16-15(19)17-13(11-7-3-1-4-8-11)14(18)12-9-5-2-6-10-12/h1-10,13-14,18H,(H3,16,17,19)/t13-,14+/m1/s1
InChIKeyNTOVGLTWEWWNIX-KGLIPLIRSA-N
MW256.31 g/mol
LogP2.13
Rot. Bonds4

About [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea

[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea (PubChem CID 11097193) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
PubChem CID11097193
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
SMILESNC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H16N2O2/c16-15(19)17-13(11-7-3-1-4-8-11)14(18)12-9-5-2-6-10-12/h1-10,13-14,18H,(H3,16,17,19)/t13-,14+/m1/s1
InChIKeyNTOVGLTWEWWNIX-KGLIPLIRSA-N
XLogP2.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea?
The IUPAC name of [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea (CID 11097193) is [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea.
What is the SMILES notation for [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea?
The canonical SMILES for [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea is NC(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea?
The InChIKey is NTOVGLTWEWWNIX-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-15(19)17-13(11-7-3-1-4-8-11)14(18)12-9-5-2-6-10-12/h1-10,13-14,18H,(H3,16,17,19)/t13-,14+/m1/s1.
What are the key properties of [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea?
[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea has a molecular weight of 256.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea is sourced from PubChem (CID 11097193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).