(3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

C23H23N3O3 — CID 6148913

IUPAC(3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-17(14-22(27)24-16-21-8-5-13-29-21)25-26-23(28)15-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-13H,14-16H2,1H3,(H,24,27)(H,26,28)/b25-17+
InChIKeyYQIUPJDEIJRVOV-KOEQRZSOSA-N
MW389.46 g/mol
LogP3.69
Rot. Bonds8

About (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

(3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 6148913) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID6148913
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-17(14-22(27)24-16-21-8-5-13-29-21)25-26-23(28)15-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-13H,14-16H2,1H3,(H,24,27)(H,26,28)/b25-17+
InChIKeyYQIUPJDEIJRVOV-KOEQRZSOSA-N
XLogP3.69
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (CID 6148913) is (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is YQIUPJDEIJRVOV-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17(14-22(27)24-16-21-8-5-13-29-21)25-26-23(28)15-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-13H,14-16H2,1H3,(H,24,27)(H,26,28)/b25-17+.
What are the key properties of (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
(3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 389.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(furan-2-ylmethyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 6148913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).