N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide

C14H20F2N2O2 — CID 28651324

IUPACN-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10(2)13(19)18-8-7-17-9-11-5-3-4-6-12(11)20-14(15)16/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyYGZAGKCBFOSMKD-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.15
Rot. Bonds8

About N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide

N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide (PubChem CID 28651324) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
PubChem CID28651324
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-10(2)13(19)18-8-7-17-9-11-5-3-4-6-12(11)20-14(15)16/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyYGZAGKCBFOSMKD-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 60956611
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115763988
2-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-1-ol
CID 61247131
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide (CID 28651324) is N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNCc1ccccc1OC(F)F.
What is the InChIKey of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide?
The InChIKey is YGZAGKCBFOSMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-10(2)13(19)18-8-7-17-9-11-5-3-4-6-12(11)20-14(15)16/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide?
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide has a molecular weight of 286.32 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 28651324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).