N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide

C23H28N2O4 — CID 134102578

IUPACN'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide
SMILESCOc1ccccc1C(=O)N(NC(=O)c1cccc2c1CC(C)(C)O2)C(C)(C)C
InChIInChI=1S/C23H28N2O4/c1-22(2,3)25(21(27)16-10-7-8-12-18(16)28-6)24-20(26)15-11-9-13-19-17(15)14-23(4,5)29-19/h7-13H,14H2,1-6H3,(H,24,26)
InChIKeyWKBZVXZBKWJIQJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.99
Rot. Bonds3

About N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide

N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide (PubChem CID 134102578) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide
PubChem CID134102578
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide
SMILESCOc1ccccc1C(=O)N(NC(=O)c1cccc2c1CC(C)(C)O2)C(C)(C)C
InChIInChI=1S/C23H28N2O4/c1-22(2,3)25(21(27)16-10-7-8-12-18(16)28-6)24-20(26)15-11-9-13-19-17(15)14-23(4,5)29-19/h7-13H,14H2,1-6H3,(H,24,26)
InChIKeyWKBZVXZBKWJIQJ-UHFFFAOYSA-N
XLogP3.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
CID 67921811
N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide
CID 67922068
2,2-dimethyl-3H-1-benzofuran-4-carboxamide
CID 86668248
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,3-dimethoxybenzohydrazide
CID 101134353
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide
CID 42597330
N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide
CID 118012187
N'-tert-butyl-3-methoxy-2-methyl-N'-[3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]benzohydrazide
CID 140707543
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-nitrobenzohydrazide
CID 69296103
N-tert-butyl-2,4,6-trideuterio-N'-(3-methoxy-2-methylbenzoyl)-3,5-bis(trideuteriomethyl)benzohydrazide
CID 131709106
N'-tert-butyl-N'-[3-(dibromomethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-3-methoxy-2-methylbenzohydrazide
CID 140887110

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide (CID 134102578) is N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide is COc1ccccc1C(=O)N(NC(=O)c1cccc2c1CC(C)(C)O2)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide?
The InChIKey is WKBZVXZBKWJIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-22(2,3)25(21(27)16-10-7-8-12-18(16)28-6)24-20(26)15-11-9-13-19-17(15)14-23(4,5)29-19/h7-13H,14H2,1-6H3,(H,24,26).
What are the key properties of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide?
N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide has a molecular weight of 396.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2-dimethyl-3H-1-benzofuran-4-carbohydrazide is sourced from PubChem (CID 134102578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).