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

C24H31N3O5 — CID 17050908

IUPAC4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C24H31N3O5/c1-5-31-18-12-10-17(11-13-18)25-21(28)14-15-22(29)26-27-23(30)16-32-20-9-7-6-8-19(20)24(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyKAHMOUZWNYSPBS-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.33
Rot. Bonds9

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

4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 17050908) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID17050908
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C24H31N3O5/c1-5-31-18-12-10-17(11-13-18)25-21(28)14-15-22(29)26-27-23(30)16-32-20-9-7-6-8-19(20)24(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyKAHMOUZWNYSPBS-UHFFFAOYSA-N
XLogP3.33
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.33
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

4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17050964
3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109037316
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide
CID 5118299
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17050900
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 3650888

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide (CID 17050908) is 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is KAHMOUZWNYSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-5-31-18-12-10-17(11-13-18)25-21(28)14-15-22(29)26-27-23(30)16-32-20-9-7-6-8-19(20)24(2,3)4/h6-13H,5,14-16H2,1-4H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 441.53 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 17050908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).