N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide

C25H33N3O4 — CID 4942283

IUPACN-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C25H33N3O4/c1-4-5-6-9-16-32-22-11-8-7-10-20(22)25(31)28-27-24(30)15-14-23(29)26-21-17-18(2)12-13-19(21)3/h7-8,10-13,17H,4-6,9,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyZOIROFDQCDFCOE-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.44
Rot. Bonds11

About N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide

N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 4942283) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID4942283
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C25H33N3O4/c1-4-5-6-9-16-32-22-11-8-7-10-20(22)25(31)28-27-24(30)15-14-23(29)26-21-17-18(2)12-13-19(21)3/h7-8,10-13,17H,4-6,9,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyZOIROFDQCDFCOE-UHFFFAOYSA-N
XLogP4.44
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-bromo-2-hexoxybenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17343509
N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide
CID 17045660
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
2-hexoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 4942278
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide (CID 4942283) is N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide is CCCCCCOc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is ZOIROFDQCDFCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-4-5-6-9-16-32-22-11-8-7-10-20(22)25(31)28-27-24(30)15-14-23(29)26-21-17-18(2)12-13-19(21)3/h7-8,10-13,17H,4-6,9,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 439.56 g/mol, XLogP of 4.44, 11 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-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4942283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).