4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide

C24H31N3O4 — CID 17050900

IUPAC4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C24H31N3O4/c1-16-10-11-17(2)19(14-16)25-21(28)12-13-22(29)26-27-23(30)15-31-20-9-7-6-8-18(20)24(3,4)5/h6-11,14H,12-13,15H2,1-5H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyPKWBMSRBBALILK-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.55
Rot. Bonds7

About 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide

4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 17050900) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID17050900
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C24H31N3O4/c1-16-10-11-17(2)19(14-16)25-21(28)12-13-22(29)26-27-23(30)15-31-20-9-7-6-8-18(20)24(3,4)5/h6-11,14H,12-13,15H2,1-5H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyPKWBMSRBBALILK-UHFFFAOYSA-N
XLogP3.55
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.55
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-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
N-(2,5-dimethylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513201
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 17050908
N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17050964
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936
N-(2,5-dimethylphenyl)-4-oxo-4-[2-(2-propan-2-yloxybenzoyl)hydrazinyl]butanamide
CID 17045660
3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide
CID 17050926
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
N-(2,5-dimethylphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942283

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide (CID 17050900) is 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is PKWBMSRBBALILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16-10-11-17(2)19(14-16)25-21(28)12-13-22(29)26-27-23(30)15-31-20-9-7-6-8-18(20)24(3,4)5/h6-11,14H,12-13,15H2,1-5H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide?
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 425.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 17050900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).