1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea

C14H20F3N3O3 — CID 2811707

IUPAC1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1cc(NC(=O)NCCCN2CCOCC2)c(C(F)(F)F)o1
InChIInChI=1S/C14H20F3N3O3/c1-10-9-11(12(23-10)14(15,16)17)19-13(21)18-3-2-4-20-5-7-22-8-6-20/h9H,2-8H2,1H3,(H2,18,19,21)
InChIKeyPPGHQUXNFILBPO-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.45
Rot. Bonds5

About 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea

1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 2811707) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID2811707
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1cc(NC(=O)NCCCN2CCOCC2)c(C(F)(F)F)o1
InChIInChI=1S/C14H20F3N3O3/c1-10-9-11(12(23-10)14(15,16)17)19-13(21)18-3-2-4-20-5-7-22-8-6-20/h9H,2-8H2,1H3,(H2,18,19,21)
InChIKeyPPGHQUXNFILBPO-UHFFFAOYSA-N
XLogP2.45
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.45
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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Related Compounds

1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118782826
1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118776038
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 84586646
1-(2-morpholin-4-ylethyl)-3-[4-nitroso-2-(trifluoromethyl)phenyl]urea
CID 89040040
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869740
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19521841
2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114115
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
1-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 2319024
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 3719727

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea (CID 2811707) is 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea is Cc1cc(NC(=O)NCCCN2CCOCC2)c(C(F)(F)F)o1.
What is the InChIKey of 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is PPGHQUXNFILBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-10-9-11(12(23-10)14(15,16)17)19-13(21)18-3-2-4-20-5-7-22-8-6-20/h9H,2-8H2,1H3,(H2,18,19,21).
What are the key properties of 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea?
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 335.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 2811707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).