N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide

C23H26N2O3 — CID 50940760

IUPACN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2cccc3oc(C)cc23)C(C)(C)C)c1
InChIInChI=1S/C23H26N2O3/c1-14-10-15(2)12-17(11-14)22(27)25(23(4,5)6)24-21(26)18-8-7-9-20-19(18)13-16(3)28-20/h7-13H,1-6H3,(H,24,26)
InChIKeyCGPJBRTUKRQLQJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.94
Rot. Bonds2

About N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide (PubChem CID 50940760) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide
PubChem CID50940760
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2cccc3oc(C)cc23)C(C)(C)C)c1
InChIInChI=1S/C23H26N2O3/c1-14-10-15(2)12-17(11-14)22(27)25(23(4,5)6)24-21(26)18-8-7-9-20-19(18)13-16(3)28-20/h7-13H,1-6H3,(H,24,26)
InChIKeyCGPJBRTUKRQLQJ-UHFFFAOYSA-N
XLogP4.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.94
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'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide (CID 50940760) is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide is Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc3oc(C)cc23)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide?
The InChIKey is CGPJBRTUKRQLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14-10-15(2)12-17(11-14)22(27)25(23(4,5)6)24-21(26)18-8-7-9-20-19(18)13-16(3)28-20/h7-13H,1-6H3,(H,24,26).
What are the key properties of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide?
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide has a molecular weight of 378.47 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-methyl-1-benzofuran-4-carbohydrazide is sourced from PubChem (CID 50940760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).