N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide

C24H30N2O4 — CID 42597086

IUPACN'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide
SMILESCOc1ccccc1C(=O)N(NC(=O)c1ccc2c(c1C)CC(C)(C)O2)C(C)(C)C
InChIInChI=1S/C24H30N2O4/c1-15-16(12-13-20-18(15)14-24(5,6)30-20)21(27)25-26(23(2,3)4)22(28)17-10-8-9-11-19(17)29-7/h8-13H,14H2,1-7H3,(H,25,27)
InChIKeyULNJOJIDPCIUDV-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.30
Rot. Bonds3

About N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide

N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide (PubChem CID 42597086) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide
PubChem CID42597086
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide
SMILESCOc1ccccc1C(=O)N(NC(=O)c1ccc2c(c1C)CC(C)(C)O2)C(C)(C)C
InChIInChI=1S/C24H30N2O4/c1-15-16(12-13-20-18(15)14-24(5,6)30-20)21(27)25-26(23(2,3)4)22(28)17-10-8-9-11-19(17)29-7/h8-13H,14H2,1-7H3,(H,25,27)
InChIKeyULNJOJIDPCIUDV-UHFFFAOYSA-N
XLogP4.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.30
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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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide (CID 42597086) is N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide is COc1ccccc1C(=O)N(NC(=O)c1ccc2c(c1C)CC(C)(C)O2)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide?
The InChIKey is ULNJOJIDPCIUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-15-16(12-13-20-18(15)14-24(5,6)30-20)21(27)25-26(23(2,3)4)22(28)17-10-8-9-11-19(17)29-7/h8-13H,14H2,1-7H3,(H,25,27).
What are the key properties of N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide?
N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide has a molecular weight of 410.51 g/mol, XLogP of 4.30, 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)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide is sourced from PubChem (CID 42597086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).