3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide

C11H15N3O5 — CID 103229305

IUPAC3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
SMILESCOCC(Oc1cc([N+](=O)[O-])ccc1C)C(=O)NN
InChIInChI=1S/C11H15N3O5/c1-7-3-4-8(14(16)17)5-9(7)19-10(6-18-2)11(15)13-12/h3-5,10H,6,12H2,1-2H3,(H,13,15)
InChIKeyIMXHSUWEWXEMBH-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.29
Rot. Bonds6

About 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide

3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide (PubChem CID 103229305) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
PubChem CID103229305
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
SMILESCOCC(Oc1cc([N+](=O)[O-])ccc1C)C(=O)NN
InChIInChI=1S/C11H15N3O5/c1-7-3-4-8(14(16)17)5-9(7)19-10(6-18-2)11(15)13-12/h3-5,10H,6,12H2,1-2H3,(H,13,15)
InChIKeyIMXHSUWEWXEMBH-UHFFFAOYSA-N
XLogP0.29
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182
3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
CID 107171064
methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
3-(2-methyl-5-nitrophenoxy)propanamide
CID 61059962
2-amino-4-(2-methyl-5-nitrophenoxy)butanoic acid
CID 63039221
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
CID 107744970
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
2-(2-bromo-5-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 103013613

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide?
The IUPAC name of 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide (CID 103229305) is 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide.
What is the SMILES notation for 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide?
The canonical SMILES for 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide is COCC(Oc1cc([N+](=O)[O-])ccc1C)C(=O)NN.
What is the InChIKey of 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide?
The InChIKey is IMXHSUWEWXEMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7-3-4-8(14(16)17)5-9(7)19-10(6-18-2)11(15)13-12/h3-5,10H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide?
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide has a molecular weight of 269.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 103229305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).