1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea

C22H28N2O2 — CID 71781863

IUPAC1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCC(O)(CNC(=O)NC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-22(26,16-23-21(25)24-20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20,26H,3,6-7,10-11,16H2,1H3,(H2,23,24,25)
InChIKeyNSNXRLJEDVBIID-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.19
Rot. Bonds5

About 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea

1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (PubChem CID 71781863) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
PubChem CID71781863
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCC(O)(CNC(=O)NC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-22(26,16-23-21(25)24-20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20,26H,3,6-7,10-11,16H2,1H3,(H2,23,24,25)
InChIKeyNSNXRLJEDVBIID-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]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-2-(4-phenylphenyl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (CID 71781863) is 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is CC(O)(CNC(=O)NC1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The InChIKey is NSNXRLJEDVBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(26,16-23-21(25)24-20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,20,26H,3,6-7,10-11,16H2,1H3,(H2,23,24,25).
What are the key properties of 1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
1-cyclohexyl-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea has a molecular weight of 352.48 g/mol, XLogP of 4.19, 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-2-(4-phenylphenyl)propyl]urea is sourced from PubChem (CID 71781863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).