(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid

C26H24N4O7 — CID 6380098

IUPAC(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C26H24N4O7/c31-23(32)15-11-19(17-7-3-1-4-8-17)27-29-25(35)21-13-14-22(37-21)26(36)30-28-20(12-16-24(33)34)18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2,(H,29,35)(H,30,36)(H,31,32)(H,33,34)/b27-19-,28-20+
InChIKeyXLRFHXJOIOJKCG-RIRMOVKSSA-N
MW504.50 g/mol
LogP3.28
Rot. Bonds12

About (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid

(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid (PubChem CID 6380098) has the molecular formula C26H24N4O7 and a molecular weight of 504.50 g/mol. Its IUPAC name is (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid.

Molecular Properties

Compound Name(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
PubChem CID6380098
Molecular FormulaC26H24N4O7
Molecular Weight504.50 g/mol
Exact Mass504.16
IUPAC Name(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C26H24N4O7/c31-23(32)15-11-19(17-7-3-1-4-8-17)27-29-25(35)21-13-14-22(37-21)26(36)30-28-20(12-16-24(33)34)18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2,(H,29,35)(H,30,36)(H,31,32)(H,33,34)/b27-19-,28-20+
InChIKeyXLRFHXJOIOJKCG-RIRMOVKSSA-N
XLogP3.28
TPSA170.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid with MolForge

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Related Compounds

(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
N-(1-phenylpentylideneamino)furan-2-carboxamide
CID 4993294
(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
CID 5406458
4-[(3-methyl-4-nitrobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4135118
(4E)-4-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 46496056
(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 19171619
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
4-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
CID 3267397

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid?
The IUPAC name of (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid (CID 6380098) is (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid.
What is the SMILES notation for (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid?
The canonical SMILES for (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid is O=C(O)CC/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)o1)c1ccccc1.
What is the InChIKey of (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid?
The InChIKey is XLRFHXJOIOJKCG-RIRMOVKSSA-N. The full InChI is InChI=1S/C26H24N4O7/c31-23(32)15-11-19(17-7-3-1-4-8-17)27-29-25(35)21-13-14-22(37-21)26(36)30-28-20(12-16-24(33)34)18-9-5-2-6-10-18/h1-10,13-14H,11-12,15-16H2,(H,29,35)(H,30,36)(H,31,32)(H,33,34)/b27-19-,28-20+.
What are the key properties of (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid?
(4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid has a molecular weight of 504.50 g/mol, XLogP of 3.28, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-[[(E)-(3-carboxy-1-phenylpropylidene)amino]carbamoyl]furan-2-carbonyl]hydrazinylidene]-4-phenylbutanoic acid is sourced from PubChem (CID 6380098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).