N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide

C14H20N2O4 — CID 873947

IUPACN'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C14H20N2O4/c1-14(2,3)13(18)16-15-12(17)9-6-7-10(19-4)11(8-9)20-5/h6-8H,1-5H3,(H,15,17)(H,16,18)
InChIKeyGRFXGBJDXIZOBJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.51
Rot. Bonds3

About N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide

N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide (PubChem CID 873947) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
PubChem CID873947
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C14H20N2O4/c1-14(2,3)13(18)16-15-12(17)9-6-7-10(19-4)11(8-9)20-5/h6-8H,1-5H3,(H,15,17)(H,16,18)
InChIKeyGRFXGBJDXIZOBJ-UHFFFAOYSA-N
XLogP1.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
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'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide
CID 49317060
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 30544601
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide (CID 873947) is N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1OC.
What is the InChIKey of N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide?
The InChIKey is GRFXGBJDXIZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)13(18)16-15-12(17)9-6-7-10(19-4)11(8-9)20-5/h6-8H,1-5H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide?
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide has a molecular weight of 280.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 873947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).