N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide

C15H27F3N2O2 — CID 141227634

IUPACN,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide
SMILESCCN(CC)C(=O)C(C(=O)N(CC)CC)C(C)(C)C(F)(F)F
InChIInChI=1S/C15H27F3N2O2/c1-7-19(8-2)12(21)11(13(22)20(9-3)10-4)14(5,6)15(16,17)18/h11H,7-10H2,1-6H3
InChIKeyZDYFHAQIDSQUQU-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.93
Rot. Bonds7

About N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide

N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide (PubChem CID 141227634) has the molecular formula C15H27F3N2O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide
PubChem CID141227634
Molecular FormulaC15H27F3N2O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC NameN,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide
SMILESCCN(CC)C(=O)C(C(=O)N(CC)CC)C(C)(C)C(F)(F)F
InChIInChI=1S/C15H27F3N2O2/c1-7-19(8-2)12(21)11(13(22)20(9-3)10-4)14(5,6)15(16,17)18/h11H,7-10H2,1-6H3
InChIKeyZDYFHAQIDSQUQU-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87943622
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N,N-diethyl-2-methylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159940751
2,2-dichloro-N,N-diethylacetamide
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2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
2-[ethyl(2-methylpropyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536720
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N,N-diethyl-2-(trifluoromethyl)decanamide
CID 87943520
N,N-diethyl-2-(trifluoromethyl)nonanamide
CID 87943381
4-(diethylamino)-N,N-diethyl-2,4-dimethylpentanamide
CID 166717183
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79796969

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide?
The IUPAC name of N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide (CID 141227634) is N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide.
What is the SMILES notation for N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide?
The canonical SMILES for N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide is CCN(CC)C(=O)C(C(=O)N(CC)CC)C(C)(C)C(F)(F)F.
What is the InChIKey of N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide?
The InChIKey is ZDYFHAQIDSQUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O2/c1-7-19(8-2)12(21)11(13(22)20(9-3)10-4)14(5,6)15(16,17)18/h11H,7-10H2,1-6H3.
What are the key properties of N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide?
N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide has a molecular weight of 324.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraethyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)propanediamide is sourced from PubChem (CID 141227634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).