N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide

C19H22N2O3 — CID 14626558

IUPACN'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21(20-17(22)14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)24-4/h5-13H,1-4H3,(H,20,22)
InChIKeyPUKQUTSJNLMGLT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.28
Rot. Bonds3

About N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide

N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide (PubChem CID 14626558) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide
PubChem CID14626558
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21(20-17(22)14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)24-4/h5-13H,1-4H3,(H,20,22)
InChIKeyPUKQUTSJNLMGLT-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide (CID 14626558) is N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide is COc1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide?
The InChIKey is PUKQUTSJNLMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)21(20-17(22)14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)24-4/h5-13H,1-4H3,(H,20,22).
What are the key properties of N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide?
N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butyl-2-methoxybenzohydrazide is sourced from PubChem (CID 14626558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).