1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea

C14H26F3N3O — CID 55808869

IUPAC1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
SMILESCN(CCCNC(=O)NCCC1CCCC1)CC(F)(F)F
InChIInChI=1S/C14H26F3N3O/c1-20(11-14(15,16)17)10-4-8-18-13(21)19-9-7-12-5-2-3-6-12/h12H,2-11H2,1H3,(H2,18,19,21)
InChIKeyUDHBRZGCPGNZDL-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.75
Rot. Bonds8

About 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea

1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea (PubChem CID 55808869) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
PubChem CID55808869
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
SMILESCN(CCCNC(=O)NCCC1CCCC1)CC(F)(F)F
InChIInChI=1S/C14H26F3N3O/c1-20(11-14(15,16)17)10-4-8-18-13(21)19-9-7-12-5-2-3-6-12/h12H,2-11H2,1H3,(H2,18,19,21)
InChIKeyUDHBRZGCPGNZDL-UHFFFAOYSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea (CID 55808869) is 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea is CN(CCCNC(=O)NCCC1CCCC1)CC(F)(F)F.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
The InChIKey is UDHBRZGCPGNZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-20(11-14(15,16)17)10-4-8-18-13(21)19-9-7-12-5-2-3-6-12/h12H,2-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea has a molecular weight of 309.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea is sourced from PubChem (CID 55808869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).