N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide

C26H32FN3O5 — CID 168926953

IUPACN-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESC=C(Nc1ccc(NC(=O)COCC2CCCO2)cc1)c1c(F)cc(OCCOC)cc1/N=C/C
InChIInChI=1S/C26H32FN3O5/c1-4-28-24-15-22(35-13-12-32-3)14-23(27)26(24)18(2)29-19-7-9-20(10-8-19)30-25(31)17-33-16-21-6-5-11-34-21/h4,7-10,14-15,21,29H,2,5-6,11-13,16-17H2,1,3H3,(H,30,31)/b28-4+
InChIKeyZDXHAIFYDHNRMR-KLCRIKRISA-N
MW485.56 g/mol
LogP4.79
Rot. Bonds13

About N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide

N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 168926953) has the molecular formula C26H32FN3O5 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID168926953
Molecular FormulaC26H32FN3O5
Molecular Weight485.56 g/mol
Exact Mass485.23
IUPAC NameN-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESC=C(Nc1ccc(NC(=O)COCC2CCCO2)cc1)c1c(F)cc(OCCOC)cc1/N=C/C
InChIInChI=1S/C26H32FN3O5/c1-4-28-24-15-22(35-13-12-32-3)14-23(27)26(24)18(2)29-19-7-9-20(10-8-19)30-25(31)17-33-16-21-6-5-11-34-21/h4,7-10,14-15,21,29H,2,5-6,11-13,16-17H2,1,3H3,(H,30,31)/b28-4+
InChIKeyZDXHAIFYDHNRMR-KLCRIKRISA-N
XLogP4.79
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenyl]-1-N-methylbenzene-1,4-diamine
CID 168926957
1-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]urea
CID 168927114
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
4-[1-(4-aminoanilino)ethenyl]-3-(ethylideneamino)-5-fluorophenol;3-fluoro-3-methylbutan-1-amine;formaldehyde;(2R)-2-methyloxolane
CID 168927222
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
N'-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]propanediamide
CID 171419828
1-N'-[4-[1-[4-but-3-enoxy-2-(ethylideneamino)-6-fluorophenyl]ethenylamino]phenyl]-1-N-(2,2-dimethylpropyl)cyclopropane-1,1-dicarboxamide;ethane
CID 168927264
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957861

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 168926953) is N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide is C=C(Nc1ccc(NC(=O)COCC2CCCO2)cc1)c1c(F)cc(OCCOC)cc1/N=C/C.
What is the InChIKey of N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is ZDXHAIFYDHNRMR-KLCRIKRISA-N. The full InChI is InChI=1S/C26H32FN3O5/c1-4-28-24-15-22(35-13-12-32-3)14-23(27)26(24)18(2)29-19-7-9-20(10-8-19)30-25(31)17-33-16-21-6-5-11-34-21/h4,7-10,14-15,21,29H,2,5-6,11-13,16-17H2,1,3H3,(H,30,31)/b28-4+.
What are the key properties of N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 485.56 g/mol, XLogP of 4.79, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(ethylideneamino)-6-fluoro-4-(2-methoxyethoxy)phenyl]ethenylamino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 168926953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).