2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide

C17H30F4N2O3 — CID 162606211

IUPAC2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide
SMILESCCC(C(=O)N(CC)CC)C(F)(F)OC(F)(F)C(C)C(=O)N(CC)CC
InChIInChI=1S/C17H30F4N2O3/c1-7-13(15(25)23(10-4)11-5)17(20,21)26-16(18,19)12(6)14(24)22(8-2)9-3/h12-13H,7-11H2,1-6H3
InChIKeyOOYGJTJIUHFCCU-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.59
Rot. Bonds11

About 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide

2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide (PubChem CID 162606211) has the molecular formula C17H30F4N2O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide
PubChem CID162606211
Molecular FormulaC17H30F4N2O3
Molecular Weight386.43 g/mol
Exact Mass386.22
IUPAC Name2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide
SMILESCCC(C(=O)N(CC)CC)C(F)(F)OC(F)(F)C(C)C(=O)N(CC)CC
InChIInChI=1S/C17H30F4N2O3/c1-7-13(15(25)23(10-4)11-5)17(20,21)26-16(18,19)12(6)14(24)22(8-2)9-3/h12-13H,7-11H2,1-6H3
InChIKeyOOYGJTJIUHFCCU-UHFFFAOYSA-N
XLogP3.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide?
The IUPAC name of 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide (CID 162606211) is 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide.
What is the SMILES notation for 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide?
The canonical SMILES for 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide is CCC(C(=O)N(CC)CC)C(F)(F)OC(F)(F)C(C)C(=O)N(CC)CC.
What is the InChIKey of 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide?
The InChIKey is OOYGJTJIUHFCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F4N2O3/c1-7-13(15(25)23(10-4)11-5)17(20,21)26-16(18,19)12(6)14(24)22(8-2)9-3/h12-13H,7-11H2,1-6H3.
What are the key properties of 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide?
2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide has a molecular weight of 386.43 g/mol, XLogP of 3.59, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)-1,1-difluoro-2-methyl-3-oxopropoxy]-difluoromethyl]-N,N-diethylbutanamide is sourced from PubChem (CID 162606211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).