(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid

C22H26N2O4 — CID 46229742

IUPAC(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
SMILESC/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-18(19-10-4-2-5-11-19)23-27-16-8-9-17-28-24-21(14-15-22(25)26)20-12-6-3-7-13-20/h2-7,10-13H,8-9,14-17H2,1H3,(H,25,26)/b23-18+,24-21-
InChIKeyVYNRFQQHZVARSA-QZSBGCPTSA-N
MW382.46 g/mol
LogP4.49
Rot. Bonds12

About (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid

(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid (PubChem CID 46229742) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid.

Molecular Properties

Compound Name(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
PubChem CID46229742
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
SMILESC/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-18(19-10-4-2-5-11-19)23-27-16-8-9-17-28-24-21(14-15-22(25)26)20-12-6-3-7-13-20/h2-7,10-13H,8-9,14-17H2,1H3,(H,25,26)/b23-18+,24-21-
InChIKeyVYNRFQQHZVARSA-QZSBGCPTSA-N
XLogP4.49
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-[(E)-1-(3-methoxycarbonylphenyl)ethylideneamino]oxybutanoic acid
CID 133143643
(4E)-4-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butoxyimino]-4-phenylbutanoic acid
CID 44571517
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
[2-methyl-5-[4-(1-phenylethylideneamino)oxybutyl]-1,3-dioxan-2-yl] hydrogen carbonate
CID 87602341
(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
CID 5406458
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
2-nonoxyimino-1-phenylpropan-1-one
CID 150656295
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide
CID 169092863

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid?
The IUPAC name of (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid (CID 46229742) is (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid.
What is the SMILES notation for (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid?
The canonical SMILES for (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid is C/C(=N\OCCCCO/N=C(/CCC(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid?
The InChIKey is VYNRFQQHZVARSA-QZSBGCPTSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-18(19-10-4-2-5-11-19)23-27-16-8-9-17-28-24-21(14-15-22(25)26)20-12-6-3-7-13-20/h2-7,10-13H,8-9,14-17H2,1H3,(H,25,26)/b23-18+,24-21-.
What are the key properties of (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid?
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid has a molecular weight of 382.46 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid is sourced from PubChem (CID 46229742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).