N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C15H21F3N2O — CID 56801300

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-11(2)14(21)20(10-15(16,17)18)9-12-5-7-13(8-6-12)19(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyXSIGOBQFPDZBCQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.30
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 56801300) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID56801300
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-11(2)14(21)20(10-15(16,17)18)9-12-5-7-13(8-6-12)19(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyXSIGOBQFPDZBCQ-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 56801300) is N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XSIGOBQFPDZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)14(21)20(10-15(16,17)18)9-12-5-7-13(8-6-12)19(3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 56801300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).