N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide

C13H17F3N2O — CID 62490939

IUPACN-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCN(CCCNC(=O)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H17F3N2O/c1-18(10-11-6-3-2-4-7-11)9-5-8-17-12(19)13(14,15)16/h2-4,6-7H,5,8-10H2,1H3,(H,17,19)
InChIKeyYDOSRJMZODLYQJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.19
Rot. Bonds6

About N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 62490939) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID62490939
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
SMILESCN(CCCNC(=O)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H17F3N2O/c1-18(10-11-6-3-2-4-7-11)9-5-8-17-12(19)13(14,15)16/h2-4,6-7H,5,8-10H2,1H3,(H,17,19)
InChIKeyYDOSRJMZODLYQJ-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.19
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

N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
1-[3-[benzyl(methyl)amino]propyl]-3-(2,2,2-trifluoroethyl)urea
CID 115582781
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
CID 115573153
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide (CID 62490939) is N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide is CN(CCCNC(=O)C(F)(F)F)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is YDOSRJMZODLYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-18(10-11-6-3-2-4-7-11)9-5-8-17-12(19)13(14,15)16/h2-4,6-7H,5,8-10H2,1H3,(H,17,19).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 274.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62490939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).