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

C11H16N2O3 — CID 14675603

IUPAC1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
SMILESCCNC(=O)NC[C@H](O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O3/c1-2-12-11(16)13-7-10(15)8-4-3-5-9(14)6-8/h3-6,10,14-15H,2,7H2,1H3,(H2,12,13,16)/t10-/m0/s1
InChIKeyNFVWWHRWJBAICZ-JTQLQIEISA-N
MW224.26 g/mol
LogP0.74
Rot. Bonds4

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

1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea (PubChem CID 14675603) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
PubChem CID14675603
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
SMILESCCNC(=O)NC[C@H](O)c1cccc(O)c1
InChIInChI=1S/C11H16N2O3/c1-2-12-11(16)13-7-10(15)8-4-3-5-9(14)6-8/h3-6,10,14-15H,2,7H2,1H3,(H2,12,13,16)/t10-/m0/s1
InChIKeyNFVWWHRWJBAICZ-JTQLQIEISA-N
XLogP0.74
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea (CID 14675603) is 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea is CCNC(=O)NC[C@H](O)c1cccc(O)c1.
What is the InChIKey of 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is NFVWWHRWJBAICZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-12-11(16)13-7-10(15)8-4-3-5-9(14)6-8/h3-6,10,14-15H,2,7H2,1H3,(H2,12,13,16)/t10-/m0/s1.
What are the key properties of 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea?
1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 224.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 14675603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).