N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide

C23H29N3O4 — CID 3975878

IUPACN-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H29N3O4/c1-23(2,3)18-9-11-19(12-10-18)30-16-22(29)26-25-21(28)14-13-20(27)24-15-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyGWWZMNOCFDVHRR-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.61
Rot. Bonds8

About N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide (PubChem CID 3975878) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
PubChem CID3975878
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H29N3O4/c1-23(2,3)18-9-11-19(12-10-18)30-16-22(29)26-25-21(28)14-13-20(27)24-15-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyGWWZMNOCFDVHRR-UHFFFAOYSA-N
XLogP2.61
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.61
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

N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
N-benzyl-4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 2215513
2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide
CID 55509327
N-benzyl-3-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]but-3-enamide
CID 4623952
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide (CID 3975878) is N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is GWWZMNOCFDVHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(2,3)18-9-11-19(12-10-18)30-16-22(29)26-25-21(28)14-13-20(27)24-15-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 411.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3975878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).