1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea

C16H24FN3O3 — CID 3070391

IUPAC1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea
SMILESCCOCC(CNC(=O)Nc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H24FN3O3/c1-2-22-12-15(20-7-9-23-10-8-20)11-18-16(21)19-14-5-3-13(17)4-6-14/h3-6,15H,2,7-12H2,1H3,(H2,18,19,21)
InChIKeyVBSYTXBDDBZWKO-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.68
Rot. Bonds7

About 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea

1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea (PubChem CID 3070391) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea
PubChem CID3070391
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea
SMILESCCOCC(CNC(=O)Nc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C16H24FN3O3/c1-2-22-12-15(20-7-9-23-10-8-20)11-18-16(21)19-14-5-3-13(17)4-6-14/h3-6,15H,2,7-12H2,1H3,(H2,18,19,21)
InChIKeyVBSYTXBDDBZWKO-UHFFFAOYSA-N
XLogP1.68
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea (CID 3070391) is 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea is CCOCC(CNC(=O)Nc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea?
The InChIKey is VBSYTXBDDBZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-2-22-12-15(20-7-9-23-10-8-20)11-18-16(21)19-14-5-3-13(17)4-6-14/h3-6,15H,2,7-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea?
1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea has a molecular weight of 325.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 3070391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).