N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

C26H27N3O3 — CID 4207585

IUPACN-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccccc1CNC(=O)CC(C)=NNC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-19(16-25(30)27-18-23-10-6-7-11-24(23)32-2)28-29-26(31)17-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyUEJBFLQGWDFYEX-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.10
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 4207585) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID4207585
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccccc1CNC(=O)CC(C)=NNC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-19(16-25(30)27-18-23-10-6-7-11-24(23)32-2)28-29-26(31)17-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyUEJBFLQGWDFYEX-UHFFFAOYSA-N
XLogP4.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.10
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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Related Compounds

N'-[(Z)-[4-[(2-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]-N-(2-methylphenyl)oxamide
CID 7241523
N'-[[4-[(2-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]-N-(2-methylphenyl)oxamide
CID 78464347
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433
N-[[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3130009
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 46501151
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 55404534

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (CID 4207585) is N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is COc1ccccc1CNC(=O)CC(C)=NNC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is UEJBFLQGWDFYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19(16-25(30)27-18-23-10-6-7-11-24(23)32-2)28-29-26(31)17-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 429.52 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 4207585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).