1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea

C18H20N2O2 — CID 95379615

IUPAC1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(20-16-9-5-2-6-10-16)19-13-18(22,15-11-12-15)14-7-3-1-4-8-14/h1-10,15,22H,11-13H2,(H2,19,20,21)/t18-/m1/s1
InChIKeyVZXAMDALPYPQMI-GOSISDBHSA-N
MW296.37 g/mol
LogP3.11
Rot. Bonds5

About 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea

1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea (PubChem CID 95379615) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea
PubChem CID95379615
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(20-16-9-5-2-6-10-16)19-13-18(22,15-11-12-15)14-7-3-1-4-8-14/h1-10,15,22H,11-13H2,(H2,19,20,21)/t18-/m1/s1
InChIKeyVZXAMDALPYPQMI-GOSISDBHSA-N
XLogP3.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea?
The IUPAC name of 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea (CID 95379615) is 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea.
What is the SMILES notation for 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea?
The canonical SMILES for 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea is O=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccccc1.
What is the InChIKey of 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea?
The InChIKey is VZXAMDALPYPQMI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(20-16-9-5-2-6-10-16)19-13-18(22,15-11-12-15)14-7-3-1-4-8-14/h1-10,15,22H,11-13H2,(H2,19,20,21)/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea?
1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea has a molecular weight of 296.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-phenylurea is sourced from PubChem (CID 95379615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).