1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea

C16H24N2O2 — CID 56765316

IUPAC1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCC(O)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-15(11-13-7-3-1-4-8-13)12-17-16(20)18-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2,(H2,17,18,20)
InChIKeyUDCQFAFWKIPPGL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.22
Rot. Bonds5

About 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea

1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 56765316) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID56765316
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCC(O)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-15(11-13-7-3-1-4-8-13)12-17-16(20)18-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2,(H2,17,18,20)
InChIKeyUDCQFAFWKIPPGL-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)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-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea (CID 56765316) is 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea is O=C(NCC(O)Cc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is UDCQFAFWKIPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(11-13-7-3-1-4-8-13)12-17-16(20)18-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea?
1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 56765316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).