2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C15H19F3N2O — CID 78787473

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-4-20(9-11(2)3)10-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8H,2,4,9-10H2,1,3H3,(H,19,21)
InChIKeyRQCKTXNOOFNTST-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.54
Rot. Bonds6

About 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 78787473) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID78787473
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-4-20(9-11(2)3)10-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8H,2,4,9-10H2,1,3H3,(H,19,21)
InChIKeyRQCKTXNOOFNTST-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 78787772
2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47069094
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8906157
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
N-(3,5-dimethylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976719
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113158240
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 86913392
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 78787473) is 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is C=C(C)CN(CC)CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RQCKTXNOOFNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-4-20(9-11(2)3)10-14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8H,2,4,9-10H2,1,3H3,(H,19,21).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78787473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).