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

C15H18F3N3O — CID 47069094

IUPAC2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)CC(C)C#N
InChIInChI=1S/C15H18F3N3O/c1-3-21(9-11(2)8-19)10-14(22)20-13-6-4-12(5-7-13)15(16,17)18/h4-7,11H,3,9-10H2,1-2H3,(H,20,22)
InChIKeyUATBWSDVGNMNOS-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.13
Rot. Bonds6

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

2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 47069094) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID47069094
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)CC(C)C#N
InChIInChI=1S/C15H18F3N3O/c1-3-21(9-11(2)8-19)10-14(22)20-13-6-4-12(5-7-13)15(16,17)18/h4-7,11H,3,9-10H2,1-2H3,(H,20,22)
InChIKeyUATBWSDVGNMNOS-UHFFFAOYSA-N
XLogP3.13
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 78787473
N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
CID 54988178
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113158240
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8906157
2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
CID 54979648
1-(1-cyanopropan-2-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 63224865
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24508654
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 51102226

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 47069094) is 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UATBWSDVGNMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-3-21(9-11(2)8-19)10-14(22)20-13-6-4-12(5-7-13)15(16,17)18/h4-7,11H,3,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 47069094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).