6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide

C14H20F2N2O2 — CID 61252840

IUPAC6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
SMILESNCCCCCC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c15-14(16)20-12-7-4-3-6-11(12)10-18-13(19)8-2-1-5-9-17/h3-4,6-7,14H,1-2,5,8-10,17H2,(H,18,19)
InChIKeyVSFHGJWJCLHRDD-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.42
Rot. Bonds9

About 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide

6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide (PubChem CID 61252840) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
PubChem CID61252840
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
SMILESNCCCCCC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c15-14(16)20-12-7-4-3-6-11(12)10-18-13(19)8-2-1-5-9-17/h3-4,6-7,14H,1-2,5,8-10,17H2,(H,18,19)
InChIKeyVSFHGJWJCLHRDD-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.42
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

N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46699053
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
CID 119313649
7-amino-N-[[4-(difluoromethoxy)phenyl]methyl]heptanamide;hydrochloride
CID 119689633
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432
6-amino-N-[(2-methylsulfanylphenyl)methyl]hexanamide
CID 110482652
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18165058
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
4-[2-(difluoromethoxy)phenyl]butan-1-amine
CID 117306539
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide?
The IUPAC name of 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide (CID 61252840) is 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide?
The canonical SMILES for 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide is NCCCCCC(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide?
The InChIKey is VSFHGJWJCLHRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c15-14(16)20-12-7-4-3-6-11(12)10-18-13(19)8-2-1-5-9-17/h3-4,6-7,14H,1-2,5,8-10,17H2,(H,18,19).
What are the key properties of 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide?
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide has a molecular weight of 286.32 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide is sourced from PubChem (CID 61252840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).