2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide

C17H22F2N2O3 — CID 5171892

IUPAC2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CON=Cc1ccccc1OC(F)F
InChIInChI=1S/C17H22F2N2O3/c1-12-6-2-4-8-14(12)21-16(22)11-23-20-10-13-7-3-5-9-15(13)24-17(18)19/h3,5,7,9-10,12,14,17H,2,4,6,8,11H2,1H3,(H,21,22)
InChIKeyWPSYKOVAFMWVCN-UHFFFAOYSA-N
MW340.37 g/mol
LogP3.33
Rot. Bonds7

About 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide

2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide (PubChem CID 5171892) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
PubChem CID5171892
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CON=Cc1ccccc1OC(F)F
InChIInChI=1S/C17H22F2N2O3/c1-12-6-2-4-8-14(12)21-16(22)11-23-20-10-13-7-3-5-9-15(13)24-17(18)19/h3,5,7,9-10,12,14,17H,2,4,6,8,11H2,1H3,(H,21,22)
InChIKeyWPSYKOVAFMWVCN-UHFFFAOYSA-N
XLogP3.33
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7644084
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189
2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 3896243
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7644363
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7644287
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 42983598
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-propan-2-yl-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78766744
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7644461
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 4779643

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide (CID 5171892) is 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CON=Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The InChIKey is WPSYKOVAFMWVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-12-6-2-4-8-14(12)21-16(22)11-23-20-10-13-7-3-5-9-15(13)24-17(18)19/h3,5,7,9-10,12,14,17H,2,4,6,8,11H2,1H3,(H,21,22).
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide has a molecular weight of 340.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 5171892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).