3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea

C18H25F3N2O — CID 55575637

IUPAC3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H25F3N2O/c1-23(13-15-10-4-5-11-16(15)18(19,20)21)17(24)22-12-6-9-14-7-2-3-8-14/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3,(H,22,24)
InChIKeyPZEYLNXTCFQLKA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.82
Rot. Bonds6

About 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea

3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 55575637) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
PubChem CID55575637
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H25F3N2O/c1-23(13-15-10-4-5-11-16(15)18(19,20)21)17(24)22-12-6-9-14-7-2-3-8-14/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3,(H,22,24)
InChIKeyPZEYLNXTCFQLKA-UHFFFAOYSA-N
XLogP4.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 55570048
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 55578637
3-benzyl-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 24664938
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292
(2R)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685551
3-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 100836482
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 77091258
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 134047271
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea (CID 55575637) is 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea is CN(Cc1ccccc1C(F)(F)F)C(=O)NCCCC1CCCC1.
What is the InChIKey of 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is PZEYLNXTCFQLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-23(13-15-10-4-5-11-16(15)18(19,20)21)17(24)22-12-6-9-14-7-2-3-8-14/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3,(H,22,24).
What are the key properties of 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 342.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 55575637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).