N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide

C26H27N3O4 — CID 4513201

IUPACN-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-9-19(2)23(16-18)27-24(30)14-15-25(31)28-29-26(32)17-33-22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyVHMKANCUMNUMID-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.92
Rot. Bonds8

About N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide

N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide (PubChem CID 4513201) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
PubChem CID4513201
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-9-19(2)23(16-18)27-24(30)14-15-25(31)28-29-26(32)17-33-22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyVHMKANCUMNUMID-UHFFFAOYSA-N
XLogP3.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4512967
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17050900
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156
N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4948472
N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3900181
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide (CID 4513201) is N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide is Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
The InChIKey is VHMKANCUMNUMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18-8-9-19(2)23(16-18)27-24(30)14-15-25(31)28-29-26(32)17-33-22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide?
N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide has a molecular weight of 445.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide is sourced from PubChem (CID 4513201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).