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

C24H29N3O2 — CID 6073462

IUPAC(3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)NC1CCCCC1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H29N3O2/c1-18(16-23(28)25-22-10-6-3-7-11-22)26-27-24(29)17-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,22H,3,6-7,10-11,16-17H2,1H3,(H,25,28)(H,27,29)/b26-18+
InChIKeyJHOQUANAENHCIM-NLRVBDNBSA-N
MW391.51 g/mol
LogP4.23
Rot. Bonds7

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

(3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 6073462) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID6073462
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name(3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESC/C(CC(=O)NC1CCCCC1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H29N3O2/c1-18(16-23(28)25-22-10-6-3-7-11-22)26-27-24(29)17-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,22H,3,6-7,10-11,16-17H2,1H3,(H,25,28)(H,27,29)/b26-18+
InChIKeyJHOQUANAENHCIM-NLRVBDNBSA-N
XLogP4.23
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (CID 6073462) is (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is C/C(CC(=O)NC1CCCCC1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is JHOQUANAENHCIM-NLRVBDNBSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(16-23(28)25-22-10-6-3-7-11-22)26-27-24(29)17-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,22H,3,6-7,10-11,16-17H2,1H3,(H,25,28)(H,27,29)/b26-18+.
What are the key properties of (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
(3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 391.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-cyclohexyl-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 6073462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).