N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

C25H23F3N4O6 — CID 126260161

IUPACN'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O6/c1-2-36-21-12-16(13-30-32-24(35)23(34)29-14-17-6-5-11-37-17)9-10-20(21)38-15-22(33)31-19-8-4-3-7-18(19)25(26,27)28/h3-13H,2,14-15H2,1H3,(H,29,34)(H,31,33)(H,32,35)/b30-13-
InChIKeyHGHQZYRFGNGUJD-YNFMAFFXSA-N
MW532.48 g/mol
LogP3.48
Rot. Bonds10

About N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 126260161) has the molecular formula C25H23F3N4O6 and a molecular weight of 532.48 g/mol. Its IUPAC name is N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID126260161
Molecular FormulaC25H23F3N4O6
Molecular Weight532.48 g/mol
Exact Mass532.16
IUPAC NameN'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O6/c1-2-36-21-12-16(13-30-32-24(35)23(34)29-14-17-6-5-11-37-17)9-10-20(21)38-15-22(33)31-19-8-4-3-7-18(19)25(26,27)28/h3-13H,2,14-15H2,1H3,(H,29,34)(H,31,33)(H,32,35)/b30-13-
InChIKeyHGHQZYRFGNGUJD-YNFMAFFXSA-N
XLogP3.48
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 126175427
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126163586
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126270056
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126158493
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126165010
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126158937
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126157970
N'-[(Z)-[4-[2-[4-bromo-2-(trifluoromethyl)anilino]-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126181791
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126256565
N-(furan-2-ylmethyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258731
N'-[(Z)-[4-[2-[4-bromo-2-(trifluoromethyl)anilino]-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126161081

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 126260161) is N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is CCOc1cc(/C=N\NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is HGHQZYRFGNGUJD-YNFMAFFXSA-N. The full InChI is InChI=1S/C25H23F3N4O6/c1-2-36-21-12-16(13-30-32-24(35)23(34)29-14-17-6-5-11-37-17)9-10-20(21)38-15-22(33)31-19-8-4-3-7-18(19)25(26,27)28/h3-13H,2,14-15H2,1H3,(H,29,34)(H,31,33)(H,32,35)/b30-13-.
What are the key properties of N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 532.48 g/mol, XLogP of 3.48, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 126260161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).