4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide

C13H20N2O2 — CID 116848027

IUPAC4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide
SMILESCOc1cc(C)c(C(=O)NN(C)C)c(C)c1C
InChIInChI=1S/C13H20N2O2/c1-8-7-11(17-6)9(2)10(3)12(8)13(16)14-15(4)5/h7H,1-6H3,(H,14,16)
InChIKeyVSMNODFPHGTGKN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.83
Rot. Bonds3

About 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide

4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide (PubChem CID 116848027) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide.

Molecular Properties

Compound Name4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide
PubChem CID116848027
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide
SMILESCOc1cc(C)c(C(=O)NN(C)C)c(C)c1C
InChIInChI=1S/C13H20N2O2/c1-8-7-11(17-6)9(2)10(3)12(8)13(16)14-15(4)5/h7H,1-6H3,(H,14,16)
InChIKeyVSMNODFPHGTGKN-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2,3,6-trimethylphenyl)-2-sulfanylethanone
CID 116829931
methyl 4-(4-methoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552645
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
3-(4-methoxy-2,3,6-trimethylphenyl)-2,2-dimethyl-3-oxopropanenitrile
CID 116919415
3-amino-2-hydroxy-1-(4-methoxy-2,3,6-trimethylphenyl)propan-1-one
CID 116826679
(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
CID 116917786
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide?
The IUPAC name of 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide (CID 116848027) is 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide.
What is the SMILES notation for 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide?
The canonical SMILES for 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide is COc1cc(C)c(C(=O)NN(C)C)c(C)c1C.
What is the InChIKey of 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide?
The InChIKey is VSMNODFPHGTGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-7-11(17-6)9(2)10(3)12(8)13(16)14-15(4)5/h7H,1-6H3,(H,14,16).
What are the key properties of 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide?
4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N',N',2,3,6-pentamethylbenzohydrazide is sourced from PubChem (CID 116848027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).