N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide

C13H17F3N2O2 — CID 60926600

IUPACN,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-18(2)12(19)7-8-17-9-10-3-5-11(6-4-10)20-13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyRQZXBSFXOFLFRD-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.15
Rot. Bonds6

About N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide

N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 60926600) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
PubChem CID60926600
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCN(C)C(=O)CCNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-18(2)12(19)7-8-17-9-10-3-5-11(6-4-10)20-13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyRQZXBSFXOFLFRD-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 61059305
4-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 43473381
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 60926493
(E)-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 113236609
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
N,N-dimethyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propanamide
CID 55626011
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 28651878
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide (CID 60926600) is N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide is CN(C)C(=O)CCNCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is RQZXBSFXOFLFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-18(2)12(19)7-8-17-9-10-3-5-11(6-4-10)20-13(14,15)16/h3-6,17H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 60926600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).