1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea

C17H25N3O2 — CID 67239602

IUPAC1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)NC1CCCCC1
InChIInChI=1S/C17H25N3O2/c21-17(19-14-4-2-1-3-5-14)20-15-8-6-13(7-9-15)16-12-18-10-11-22-16/h6-9,14,16,18H,1-5,10-12H2,(H2,19,20,21)
InChIKeyBHUVGALRNACQLG-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.80
Rot. Bonds3

About 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea

1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea (PubChem CID 67239602) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea
PubChem CID67239602
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)NC1CCCCC1
InChIInChI=1S/C17H25N3O2/c21-17(19-14-4-2-1-3-5-14)20-15-8-6-13(7-9-15)16-12-18-10-11-22-16/h6-9,14,16,18H,1-5,10-12H2,(H2,19,20,21)
InChIKeyBHUVGALRNACQLG-UHFFFAOYSA-N
XLogP2.80
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea (CID 67239602) is 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea is O=C(Nc1ccc(C2CNCCO2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea?
The InChIKey is BHUVGALRNACQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(19-14-4-2-1-3-5-14)20-15-8-6-13(7-9-15)16-12-18-10-11-22-16/h6-9,14,16,18H,1-5,10-12H2,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea?
1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea has a molecular weight of 303.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 67239602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).