2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide

C13H20N2O2 — CID 116843951

IUPAC2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
SMILESCOc1c(C)c(C)cc(C)c1C(C)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-7-6-8(2)11(10(4)13(16)15-14)12(17-5)9(7)3/h6,10H,14H2,1-5H3,(H,15,16)
InChIKeyLHIZPVPFFBXHQG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide

2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide (PubChem CID 116843951) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide.

Molecular Properties

Compound Name2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
PubChem CID116843951
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
SMILESCOc1c(C)c(C)cc(C)c1C(C)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-7-6-8(2)11(10(4)13(16)15-14)12(17-5)9(7)3/h6,10H,14H2,1-5H3,(H,15,16)
InChIKeyLHIZPVPFFBXHQG-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116957436
2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
1-[amino-(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943159
2-[(2-methoxy-3,4,6-trimethylphenyl)methoxy]acetohydrazide
CID 116845553
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
The IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide (CID 116843951) is 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide.
What is the SMILES notation for 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
The canonical SMILES for 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide is COc1c(C)c(C)cc(C)c1C(C)C(=O)NN.
What is the InChIKey of 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
The InChIKey is LHIZPVPFFBXHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-7-6-8(2)11(10(4)13(16)15-14)12(17-5)9(7)3/h6,10H,14H2,1-5H3,(H,15,16).
What are the key properties of 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide is sourced from PubChem (CID 116843951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).