N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide

C20H22F2N2O4 — CID 9357743

IUPACN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCOc1cccc(/C=N\NC(=O)COc2ccc(CC)cc2)c1OC(F)F
InChIInChI=1S/C20H22F2N2O4/c1-3-14-8-10-16(11-9-14)27-13-18(25)24-23-12-15-6-5-7-17(26-4-2)19(15)28-20(21)22/h5-12,20H,3-4,13H2,1-2H3,(H,24,25)/b23-12-
InChIKeyGAZHQOKPJJIJQY-FMCGGJTJSA-N
MW392.40 g/mol
LogP3.78
Rot. Bonds10

About N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 9357743) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID9357743
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCOc1cccc(/C=N\NC(=O)COc2ccc(CC)cc2)c1OC(F)F
InChIInChI=1S/C20H22F2N2O4/c1-3-14-8-10-16(11-9-14)27-13-18(25)24-23-12-15-6-5-7-17(26-4-2)19(15)28-20(21)22/h5-12,20H,3-4,13H2,1-2H3,(H,24,25)/b23-12-
InChIKeyGAZHQOKPJJIJQY-FMCGGJTJSA-N
XLogP3.78
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-chlorophenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9358652
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9316755
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 9215041
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991594
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 7994493
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 9316730
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
2-(4-ethylphenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135698892
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136794162
(2S)-2-[2-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]propanoic acid
CID 126236865
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 1365002

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide (CID 9357743) is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide is CCOc1cccc(/C=N\NC(=O)COc2ccc(CC)cc2)c1OC(F)F.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is GAZHQOKPJJIJQY-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-3-14-8-10-16(11-9-14)27-13-18(25)24-23-12-15-6-5-7-17(26-4-2)19(15)28-20(21)22/h5-12,20H,3-4,13H2,1-2H3,(H,24,25)/b23-12-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 392.40 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 9357743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).