N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide

C15H21F3N2O — CID 60925934

IUPACN,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-3-20(4-2)14(21)9-10-19-11-12-5-7-13(8-6-12)15(16,17)18/h5-8,19H,3-4,9-11H2,1-2H3
InChIKeySJYYRLUOQOBKCJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.05
Rot. Bonds7

About N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide

N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide (PubChem CID 60925934) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide
PubChem CID60925934
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-3-20(4-2)14(21)9-10-19-11-12-5-7-13(8-6-12)15(16,17)18/h5-8,19H,3-4,9-11H2,1-2H3
InChIKeySJYYRLUOQOBKCJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 60926865
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 60925597
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
3-(benzylamino)-N,N-dipropylpropanamide
CID 109018966
3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
CID 54935527
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
4-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103263294
N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide (CID 60925934) is N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide is CCN(CC)C(=O)CCNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide?
The InChIKey is SJYYRLUOQOBKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-20(4-2)14(21)9-10-19-11-12-5-7-13(8-6-12)15(16,17)18/h5-8,19H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide?
N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 60925934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).