N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide

C17H24F3N3O2 — CID 108960617

IUPACN-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,14(24)21-9-6-10-23(3)4)15(25)22-13-8-5-7-12(11-13)17(18,19)20/h5,7-8,11H,6,9-10H2,1-4H3,(H,21,24)(H,22,25)
InChIKeySEZJHSZWEZWWTP-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.74
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide

N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108960617) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108960617
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC NameN-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N3O2/c1-16(2,14(24)21-9-6-10-23(3)4)15(25)22-13-8-5-7-12(11-13)17(18,19)20/h5,7-8,11H,6,9-10H2,1-4H3,(H,21,24)(H,22,25)
InChIKeySEZJHSZWEZWWTP-UHFFFAOYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113150198
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide
CID 42701910
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
ethyl 4-[[3-[3-(dimethylamino)propylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108960648
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide (CID 108960617) is N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide is CN(C)CCCNC(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is SEZJHSZWEZWWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-16(2,14(24)21-9-6-10-23(3)4)15(25)22-13-8-5-7-12(11-13)17(18,19)20/h5,7-8,11H,6,9-10H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide?
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 359.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108960617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).