N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide

C20H22F2N2O4 — CID 9357688

IUPACN-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C(/C)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C20H22F2N2O4/c1-4-14-5-8-16(9-6-14)27-12-19(25)24-23-13(2)15-7-10-17(28-20(21)22)18(11-15)26-3/h5-11,20H,4,12H2,1-3H3,(H,24,25)/b23-13-
InChIKeyWUZYGOCZTZQFBB-QRVIBDJDSA-N
MW392.40 g/mol
LogP3.78
Rot. Bonds9

About N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 9357688) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID9357688
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C(/C)c2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C20H22F2N2O4/c1-4-14-5-8-16(9-6-14)27-12-19(25)24-23-13(2)15-7-10-17(28-20(21)22)18(11-15)26-3/h5-11,20H,4,12H2,1-3H3,(H,24,25)/b23-13-
InChIKeyWUZYGOCZTZQFBB-QRVIBDJDSA-N
XLogP3.78
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
CID 9214852
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 17424738
N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315965
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
N-[1-(4-ethylphenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3954033
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 2853275
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 7334037

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide (CID 9357688) is N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)N/N=C(/C)c2ccc(OC(F)F)c(OC)c2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is WUZYGOCZTZQFBB-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-4-14-5-8-16(9-6-14)27-12-19(25)24-23-13(2)15-7-10-17(28-20(21)22)18(11-15)26-3/h5-11,20H,4,12H2,1-3H3,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 392.40 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 9357688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).