N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide

C24H30N2O3 — CID 24781705

IUPACN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OC(C)C3)C(C)(C)C)c1
InChIInChI=1S/C24H30N2O3/c1-14-10-15(2)12-19(11-14)23(28)26(24(5,6)7)25-22(27)20-9-8-18-13-16(3)29-21(18)17(20)4/h8-12,16H,13H2,1-7H3,(H,25,27)
InChIKeyTUCSJFNYZJYLHE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.52
Rot. Bonds2

About N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide

N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide (PubChem CID 24781705) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide
PubChem CID24781705
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OC(C)C3)C(C)(C)C)c1
InChIInChI=1S/C24H30N2O3/c1-14-10-15(2)12-19(11-14)23(28)26(24(5,6)7)25-22(27)20-9-8-18-13-16(3)29-21(18)17(20)4/h8-12,16H,13H2,1-7H3,(H,25,27)
InChIKeyTUCSJFNYZJYLHE-UHFFFAOYSA-N
XLogP4.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.52
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)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide (CID 24781705) is N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide is Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OC(C)C3)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide?
The InChIKey is TUCSJFNYZJYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-14-10-15(2)12-19(11-14)23(28)26(24(5,6)7)25-22(27)20-9-8-18-13-16(3)29-21(18)17(20)4/h8-12,16H,13H2,1-7H3,(H,25,27).
What are the key properties of N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide?
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide has a molecular weight of 394.52 g/mol, XLogP of 4.52, 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)-2,7-dimethyl-2,3-dihydro-1-benzofuran-6-carbohydrazide is sourced from PubChem (CID 24781705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).