4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide

C22H27N3O4 — CID 17050893

IUPAC4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-22(2,3)17-11-7-8-12-18(17)29-15-21(28)25-24-20(27)14-13-19(26)23-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyPOGZONGSHDJJMA-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.93
Rot. Bonds7

About 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide

4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide (PubChem CID 17050893) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
PubChem CID17050893
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-22(2,3)17-11-7-8-12-18(17)29-15-21(28)25-24-20(27)14-13-19(26)23-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyPOGZONGSHDJJMA-UHFFFAOYSA-N
XLogP2.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.93
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]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 17050908
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17050964
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17050900
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536655
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide (CID 17050893) is 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide is CC(C)(C)c1ccccc1OCC(=O)NNC(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The InChIKey is POGZONGSHDJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-22(2,3)17-11-7-8-12-18(17)29-15-21(28)25-24-20(27)14-13-19(26)23-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide has a molecular weight of 397.48 g/mol, XLogP of 2.93, 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]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 17050893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).