1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide

C22H26N4O5 — CID 88611106

IUPAC1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide
SMILESCON(C(=O)c1ccc(C)cc1)N(C(=O)C(=O)N(N)C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26N4O5/c1-15-11-13-17(14-12-15)19(28)26(31-5)25(22(2,3)4)21(30)20(29)24(23)18(27)16-9-7-6-8-10-16/h6-14H,23H2,1-5H3
InChIKeyZUUOJQNBCHSRCA-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.08
Rot. Bonds3

About 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide

1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide (PubChem CID 88611106) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide.

Molecular Properties

Compound Name1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide
PubChem CID88611106
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide
SMILESCON(C(=O)c1ccc(C)cc1)N(C(=O)C(=O)N(N)C(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26N4O5/c1-15-11-13-17(14-12-15)19(28)26(31-5)25(22(2,3)4)21(30)20(29)24(23)18(27)16-9-7-6-8-10-16/h6-14H,23H2,1-5H3
InChIKeyZUUOJQNBCHSRCA-UHFFFAOYSA-N
XLogP2.08
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide?
The IUPAC name of 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide (CID 88611106) is 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide.
What is the SMILES notation for 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide?
The canonical SMILES for 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide is CON(C(=O)c1ccc(C)cc1)N(C(=O)C(=O)N(N)C(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide?
The InChIKey is ZUUOJQNBCHSRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-15-11-13-17(14-12-15)19(28)26(31-5)25(22(2,3)4)21(30)20(29)24(23)18(27)16-9-7-6-8-10-16/h6-14H,23H2,1-5H3.
What are the key properties of 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide?
1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide has a molecular weight of 426.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide is sourced from PubChem (CID 88611106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).