N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide

C26H43N3O3 — CID 54792025

IUPACN-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(31)28-29-26(32)19-18-24(30)27-23-20-21(2)16-17-22(23)3/h16-17,20H,4-15,18-19H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyDPQOHZNYPIGQEU-UHFFFAOYSA-N
MW445.65 g/mol
LogP5.87
Rot. Bonds16

About N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide

N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide (PubChem CID 54792025) has the molecular formula C26H43N3O3 and a molecular weight of 445.65 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
PubChem CID54792025
Molecular FormulaC26H43N3O3
Molecular Weight445.65 g/mol
Exact Mass445.33
IUPAC NameN-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(31)28-29-26(32)19-18-24(30)27-23-20-21(2)16-17-22(23)3/h16-17,20H,4-15,18-19H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyDPQOHZNYPIGQEU-UHFFFAOYSA-N
XLogP5.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942283
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
4-[2-(5-bromo-2-hexoxybenzoyl)hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17343509
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3342443

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide (CID 54792025) is N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide is CCCCCCCCCCCCCC(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
The InChIKey is DPQOHZNYPIGQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(31)28-29-26(32)19-18-24(30)27-23-20-21(2)16-17-22(23)3/h16-17,20H,4-15,18-19H2,1-3H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide?
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide has a molecular weight of 445.65 g/mol, XLogP of 5.87, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide is sourced from PubChem (CID 54792025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).