3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C13H17F3N2O — CID 55129127

IUPAC3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCNCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-17-8-7-12(19)18-9-10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyFEQGXZAOHGAPOZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.32
Rot. Bonds6

About 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 55129127) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID55129127
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCNCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-17-8-7-12(19)18-9-10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyFEQGXZAOHGAPOZ-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.32
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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Related Compounds

3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
CID 25402488
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
7-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]heptanamide
CID 118721865
4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 25402695
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 55129127) is 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CCNCCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is FEQGXZAOHGAPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-17-8-7-12(19)18-9-10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55129127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).