1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea

C20H30FN3O3 — CID 25015041

IUPAC1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(F)c(OCCCN2CCOCC2)c1)NC1CCCCC1
InChIInChI=1S/C20H30FN3O3/c21-18-8-7-17(23-20(25)22-16-5-2-1-3-6-16)15-19(18)27-12-4-9-24-10-13-26-14-11-24/h7-8,15-16H,1-6,9-14H2,(H2,22,23,25)
InChIKeyBYTXNLYBKGFPPQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.38
Rot. Bonds7

About 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea

1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 25015041) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID25015041
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Name1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(F)c(OCCCN2CCOCC2)c1)NC1CCCCC1
InChIInChI=1S/C20H30FN3O3/c21-18-8-7-17(23-20(25)22-16-5-2-1-3-6-16)15-19(18)27-12-4-9-24-10-13-26-14-11-24/h7-8,15-16H,1-6,9-14H2,(H2,22,23,25)
InChIKeyBYTXNLYBKGFPPQ-UHFFFAOYSA-N
XLogP3.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 25015041) is 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea is O=C(Nc1ccc(F)c(OCCCN2CCOCC2)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is BYTXNLYBKGFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c21-18-8-7-17(23-20(25)22-16-5-2-1-3-6-16)15-19(18)27-12-4-9-24-10-13-26-14-11-24/h7-8,15-16H,1-6,9-14H2,(H2,22,23,25).
What are the key properties of 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea has a molecular weight of 379.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 25015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).