4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

C18H25F3N2O2 — CID 55716152

IUPAC4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(OC2CCCC2)cc1)CC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-23(13-18(19,20)21)12-4-11-22-17(24)14-7-9-16(10-8-14)25-15-5-2-3-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,22,24)
InChIKeyPWJBOEQBPXNGSF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.62
Rot. Bonds8

About 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (PubChem CID 55716152) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
PubChem CID55716152
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(OC2CCCC2)cc1)CC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-23(13-18(19,20)21)12-4-11-22-17(24)14-7-9-16(10-8-14)25-15-5-2-3-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,22,24)
InChIKeyPWJBOEQBPXNGSF-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55715963
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55712910
N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55720127
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
CID 51080880
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46481948
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716024
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466236
1-methylsulfonyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 46476297
N-[2-(4-cyclopentyloxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788360

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (CID 55716152) is 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is CN(CCCNC(=O)c1ccc(OC2CCCC2)cc1)CC(F)(F)F.
What is the InChIKey of 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The InChIKey is PWJBOEQBPXNGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-23(13-18(19,20)21)12-4-11-22-17(24)14-7-9-16(10-8-14)25-15-5-2-3-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,22,24).
What are the key properties of 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is sourced from PubChem (CID 55716152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).