N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide

C23H28N2O3 — CID 42600481

IUPACN'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)c2ccc3c(c2C)CC(C)O3)C(C)(C)C)c1
InChIInChI=1S/C23H28N2O3/c1-14-8-7-9-17(12-14)22(27)25(23(4,5)6)24-21(26)18-10-11-20-19(16(18)3)13-15(2)28-20/h7-12,15H,13H2,1-6H3,(H,24,26)
InChIKeyVLCTZHVJXYWGLV-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.21
Rot. Bonds2

About N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide

N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide (PubChem CID 42600481) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
PubChem CID42600481
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
SMILESCc1cccc(C(=O)N(NC(=O)c2ccc3c(c2C)CC(C)O3)C(C)(C)C)c1
InChIInChI=1S/C23H28N2O3/c1-14-8-7-9-17(12-14)22(27)25(23(4,5)6)24-21(26)18-10-11-20-19(16(18)3)13-15(2)28-20/h7-12,15H,13H2,1-6H3,(H,24,26)
InChIKeyVLCTZHVJXYWGLV-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.21
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-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-5-chloro-N'-(3,5-dimethylbenzoyl)-4H-1,3-benzodioxine-6-carbohydrazide
CID 69294857
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide
CID 42597330
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-formyl-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 10320145
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-fluoro-4H-1,3-benzodioxine-6-carbohydrazide
CID 69298480
(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
CID 88511224
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1,3-benzodioxole-4-carbohydrazide
CID 50940762
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
(3R)-N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3-(methylsulfonylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 59016625
N'-tert-butyl-N'-(3-methylbenzoyl)-2H-triazole-4-carbohydrazide
CID 15452007

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The IUPAC name of N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide (CID 42600481) is N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The canonical SMILES for N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide is Cc1cccc(C(=O)N(NC(=O)c2ccc3c(c2C)CC(C)O3)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
The InChIKey is VLCTZHVJXYWGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14-8-7-9-17(12-14)22(27)25(23(4,5)6)24-21(26)18-10-11-20-19(16(18)3)13-15(2)28-20/h7-12,15H,13H2,1-6H3,(H,24,26).
What are the key properties of N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide?
N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide has a molecular weight of 380.49 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2,4-dimethyl-N'-(3-methylbenzoyl)-2,3-dihydro-1-benzofuran-5-carbohydrazide is sourced from PubChem (CID 42600481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).