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

C22H24N2O3 — CID 59992458

IUPACN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2cc3ccccc3o2)C(C)(C)C)c1
InChIInChI=1S/C22H24N2O3/c1-14-10-15(2)12-17(11-14)21(26)24(22(3,4)5)23-20(25)19-13-16-8-6-7-9-18(16)27-19/h6-13H,1-5H3,(H,23,25)
InChIKeyJVJWGJOZTBPCKU-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.64
Rot. Bonds2

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

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 59992458) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide
PubChem CID59992458
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2cc3ccccc3o2)C(C)(C)C)c1
InChIInChI=1S/C22H24N2O3/c1-14-10-15(2)12-17(11-14)21(26)24(22(3,4)5)23-20(25)19-13-16-8-6-7-9-18(16)27-19/h6-13H,1-5H3,(H,23,25)
InChIKeyJVJWGJOZTBPCKU-UHFFFAOYSA-N
XLogP4.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.64
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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Related Compounds

N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N'-(1,3-benzoxazol-2-yl)-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 134123584
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 101222391
N',N'-dibenzyl-1-benzofuran-2-carbohydrazide
CID 9293807
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
[4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]phenyl] acetate
CID 19367923

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide (CID 59992458) is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide is Cc1cc(C)cc(C(=O)N(NC(=O)c2cc3ccccc3o2)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is JVJWGJOZTBPCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-10-15(2)12-17(11-14)21(26)24(22(3,4)5)23-20(25)19-13-16-8-6-7-9-18(16)27-19/h6-13H,1-5H3,(H,23,25).
What are the key properties of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide?
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 364.45 g/mol, XLogP of 4.64, 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)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 59992458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).