N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C15H31F3N2O2 — CID 142518884

IUPACN,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC.CCC(=O)N(C)CC(F)(F)F.CCC(=O)N(CC)CC
InChIInChI=1S/C7H15NO.C6H10F3NO.C2H6/c1-4-7(9)8(5-2)6-3;1-3-5(11)10(2)4-6(7,8)9;1-2/h4-6H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyGBIDYWUNBLPGOF-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.71
Rot. Bonds5

About N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide

N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 142518884) has the molecular formula C15H31F3N2O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID142518884
Molecular FormulaC15H31F3N2O2
Molecular Weight328.42 g/mol
Exact Mass328.23
IUPAC NameN,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC.CCC(=O)N(C)CC(F)(F)F.CCC(=O)N(CC)CC
InChIInChI=1S/C7H15NO.C6H10F3NO.C2H6/c1-4-7(9)8(5-2)6-3;1-3-5(11)10(2)4-6(7,8)9;1-2/h4-6H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyGBIDYWUNBLPGOF-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 142518884) is N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC.CCC(=O)N(C)CC(F)(F)F.CCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GBIDYWUNBLPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H10F3NO.C2H6/c1-4-7(9)8(5-2)6-3;1-3-5(11)10(2)4-6(7,8)9;1-2/h4-6H2,1-3H3;3-4H2,1-2H3;1-2H3.
What are the key properties of N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropanamide;ethane;N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 142518884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).