4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

C22H24N4O4 — CID 4850375

IUPAC4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C22H24N4O4/c1-22(2,3)17-10-8-15(9-11-17)21(29)24-13-19(27)25-26-20(28)14-30-18-7-5-4-6-16(18)12-23/h4-11H,13-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyZKSANDQDRCTZBW-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.81
Rot. Bonds6

About 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 4850375) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID4850375
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)COc2ccccc2C#N)cc1
InChIInChI=1S/C22H24N4O4/c1-22(2,3)17-10-8-15(9-11-17)21(29)24-13-19(27)25-26-20(28)14-30-18-7-5-4-6-16(18)12-23/h4-11H,13-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyZKSANDQDRCTZBW-UHFFFAOYSA-N
XLogP1.81
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
CID 35946068
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292956
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8699125
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
4-tert-butyl-N-[2-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41273245
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (CID 4850375) is 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)COc2ccccc2C#N)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is ZKSANDQDRCTZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-22(2,3)17-10-8-15(9-11-17)21(29)24-13-19(27)25-26-20(28)14-30-18-7-5-4-6-16(18)12-23/h4-11H,13-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4850375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).