N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide

C25H33N3O4 — CID 4933799

IUPACN-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H33N3O4/c1-4-5-6-7-16-32-22-12-9-20(10-13-22)25(31)28-27-24(30)15-14-23(29)26-21-11-8-18(2)19(3)17-21/h8-13,17H,4-7,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyNGYBBQBRSZZSQU-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.44
Rot. Bonds11

About N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide

N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 4933799) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID4933799
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C25H33N3O4/c1-4-5-6-7-16-32-22-12-9-20(10-13-22)25(31)28-27-24(30)15-14-23(29)26-21-11-8-18(2)19(3)17-21/h8-13,17H,4-7,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyNGYBBQBRSZZSQU-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

N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
4-hexoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4934688
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-(4-decoxyphenyl)butanamide
CID 143303175
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide (CID 4933799) is N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide is CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is NGYBBQBRSZZSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-4-5-6-7-16-32-22-12-9-20(10-13-22)25(31)28-27-24(30)15-14-23(29)26-21-11-8-18(2)19(3)17-21/h8-13,17H,4-7,14-16H2,1-3H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide?
N-(3,4-dimethylphenyl)-4-[2-(4-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-(3,4-dimethylphenyl)-4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 4933799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).