2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide

C13H20N2O3 — CID 116845553

IUPAC2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
SMILESCOc1c(C)c(C)cc(C)c1COCC(=O)NN
InChIInChI=1S/C13H20N2O3/c1-8-5-9(2)11(13(17-4)10(8)3)6-18-7-12(16)15-14/h5H,6-7,14H2,1-4H3,(H,15,16)
InChIKeyYQMMDMGKQGTORB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.13
Rot. Bonds5

About 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide

2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide (PubChem CID 116845553) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide.

Molecular Properties

Compound Name2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
PubChem CID116845553
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
SMILESCOc1c(C)c(C)cc(C)c1COCC(=O)NN
InChIInChI=1S/C13H20N2O3/c1-8-5-9(2)11(13(17-4)10(8)3)6-18-7-12(16)15-14/h5H,6-7,14H2,1-4H3,(H,15,16)
InChIKeyYQMMDMGKQGTORB-UHFFFAOYSA-N
XLogP1.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]acetohydrazide
CID 116845495
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
CID 115233101
2-[(6-methyl-1,3-benzodioxol-5-yl)methoxy]acetohydrazide
CID 116845547
2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845415
2-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-methylbutanoic acid
CID 116930731
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide?
The IUPAC name of 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide (CID 116845553) is 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide.
What is the SMILES notation for 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide?
The canonical SMILES for 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide is COc1c(C)c(C)cc(C)c1COCC(=O)NN.
What is the InChIKey of 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide?
The InChIKey is YQMMDMGKQGTORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-5-9(2)11(13(17-4)10(8)3)6-18-7-12(16)15-14/h5H,6-7,14H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide?
2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide is sourced from PubChem (CID 116845553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).