N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide

C22H24N4O4 — CID 25485810

IUPACN'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H24N4O4/c1-22(2,3)15-8-10-16(11-9-15)30-14-21(29)25-24-20(28)13-26-18-7-5-4-6-17(18)19(27)12-23-26/h4-12H,13-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyXCUUXPTZRJWBDU-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.92
Rot. Bonds5

About N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide

N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide (PubChem CID 25485810) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
PubChem CID25485810
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H24N4O4/c1-22(2,3)15-8-10-16(11-9-15)30-14-21(29)25-24-20(28)13-26-18-7-5-4-6-17(18)19(27)12-23-26/h4-12H,13-14H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyXCUUXPTZRJWBDU-UHFFFAOYSA-N
XLogP1.92
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 9085674
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55902525
2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
CID 9084933
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
CID 55428094
N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 111480501
4-hexoxy-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 55458088

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide (CID 25485810) is N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
The InChIKey is XCUUXPTZRJWBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-22(2,3)15-8-10-16(11-9-15)30-14-21(29)25-24-20(28)13-26-18-7-5-4-6-17(18)19(27)12-23-26/h4-12H,13-14H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide has a molecular weight of 408.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide is sourced from PubChem (CID 25485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).