4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide

C22H28N2O4 — CID 17112795

IUPAC4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-5-27-14-15-28-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyTWGFLDONDMLVBW-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.47
Rot. Bonds7

About 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide

4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide (PubChem CID 17112795) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
PubChem CID17112795
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-5-27-14-15-28-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyTWGFLDONDMLVBW-UHFFFAOYSA-N
XLogP3.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
4-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17112720
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxybenzamide
CID 4949262
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17139786

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide (CID 17112795) is 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide is CCOCCOc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide?
The InChIKey is TWGFLDONDMLVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-27-14-15-28-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide?
4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 17112795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).