1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea

C15H19F3N4O3 — CID 2983006

IUPAC1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(CCN1CCOCC1)NNC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)11-2-1-3-12(10-11)19-14(24)21-20-13(23)4-5-22-6-8-25-9-7-22/h1-3,10H,4-9H2,(H,20,23)(H2,19,21,24)
InChIKeyPMKJCWPVPMLWSE-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.58
Rot. Bonds4

About 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea

1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2983006) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2983006
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(CCN1CCOCC1)NNC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)11-2-1-3-12(10-11)19-14(24)21-20-13(23)4-5-22-6-8-25-9-7-22/h1-3,10H,4-9H2,(H,20,23)(H2,19,21,24)
InChIKeyPMKJCWPVPMLWSE-UHFFFAOYSA-N
XLogP1.58
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]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-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea (CID 2983006) is 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea is O=C(CCN1CCOCC1)NNC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is PMKJCWPVPMLWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c16-15(17,18)11-2-1-3-12(10-11)19-14(24)21-20-13(23)4-5-22-6-8-25-9-7-22/h1-3,10H,4-9H2,(H,20,23)(H2,19,21,24).
What are the key properties of 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 360.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2983006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).