1-cyclohexyl-3-(4-phenoxyphenyl)urea

C19H22N2O2 — CID 840674

IUPAC1-cyclohexyl-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCCCC1
InChIInChI=1S/C19H22N2O2/c22-19(20-15-7-3-1-4-8-15)21-16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h2,5-6,9-15H,1,3-4,7-8H2,(H2,20,21,22)
InChIKeyAHIZJLVRHIRLEY-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.93
Rot. Bonds4

About 1-cyclohexyl-3-(4-phenoxyphenyl)urea

1-cyclohexyl-3-(4-phenoxyphenyl)urea (PubChem CID 840674) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-phenoxyphenyl)urea
PubChem CID840674
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-cyclohexyl-3-(4-phenoxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCCCC1
InChIInChI=1S/C19H22N2O2/c22-19(20-15-7-3-1-4-8-15)21-16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h2,5-6,9-15H,1,3-4,7-8H2,(H2,20,21,22)
InChIKeyAHIZJLVRHIRLEY-UHFFFAOYSA-N
XLogP4.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-phenoxyphenyl)urea (CID 840674) is 1-cyclohexyl-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-phenoxyphenyl)urea is O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-phenoxyphenyl)urea?
The InChIKey is AHIZJLVRHIRLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(20-15-7-3-1-4-8-15)21-16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h2,5-6,9-15H,1,3-4,7-8H2,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-(4-phenoxyphenyl)urea?
1-cyclohexyl-3-(4-phenoxyphenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 840674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).