N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide

C28H40F4N4O2 — CID 159410874

IUPACN-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide
SMILESCCC(=O)Nc1c(C)c(F)c(N(C)C)c(F)c1C.CCC(=O)Nc1c(CC)c(F)c(N(C)C)c(F)c1CC
InChIInChI=1S/C15H22F2N2O.C13H18F2N2O/c1-6-9-12(16)15(19(4)5)13(17)10(7-2)14(9)18-11(20)8-3;1-6-9(18)16-12-7(2)10(14)13(17(4)5)11(15)8(12)3/h6-8H2,1-5H3,(H,18,20);6H2,1-5H3,(H,16,18)
InChIKeyLOOGBAGGBREQBT-UHFFFAOYSA-N
MW540.65 g/mol
LogP6.50
Rot. Bonds8

About N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide

N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide (PubChem CID 159410874) has the molecular formula C28H40F4N4O2 and a molecular weight of 540.65 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide
PubChem CID159410874
Molecular FormulaC28H40F4N4O2
Molecular Weight540.65 g/mol
Exact Mass540.31
IUPAC NameN-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide
SMILESCCC(=O)Nc1c(C)c(F)c(N(C)C)c(F)c1C.CCC(=O)Nc1c(CC)c(F)c(N(C)C)c(F)c1CC
InChIInChI=1S/C15H22F2N2O.C13H18F2N2O/c1-6-9-12(16)15(19(4)5)13(17)10(7-2)14(9)18-11(20)8-3;1-6-9(18)16-12-7(2)10(14)13(17(4)5)11(15)8(12)3/h6-8H2,1-5H3,(H,18,20);6H2,1-5H3,(H,16,18)
InChIKeyLOOGBAGGBREQBT-UHFFFAOYSA-N
XLogP6.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide?
The IUPAC name of N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide (CID 159410874) is N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide?
The canonical SMILES for N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide is CCC(=O)Nc1c(C)c(F)c(N(C)C)c(F)c1C.CCC(=O)Nc1c(CC)c(F)c(N(C)C)c(F)c1CC.
What is the InChIKey of N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide?
The InChIKey is LOOGBAGGBREQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O.C13H18F2N2O/c1-6-9-12(16)15(19(4)5)13(17)10(7-2)14(9)18-11(20)8-3;1-6-9(18)16-12-7(2)10(14)13(17(4)5)11(15)8(12)3/h6-8H2,1-5H3,(H,18,20);6H2,1-5H3,(H,16,18).
What are the key properties of N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide?
N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide has a molecular weight of 540.65 g/mol, XLogP of 6.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2,6-diethyl-3,5-difluorophenyl]propanamide;N-[4-(dimethylamino)-3,5-difluoro-2,6-dimethylphenyl]propanamide is sourced from PubChem (CID 159410874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).