N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide

C18H19N3O6 — CID 4944192

IUPACN'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C(C)Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O6/c1-12-6-5-7-14(10-12)26-11-17(22)19-20-18(23)13(2)27-16-9-4-3-8-15(16)21(24)25/h3-10,13H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXVIAIIFTIUPITF-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.90
Rot. Bonds7

About N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide

N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide (PubChem CID 4944192) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
PubChem CID4944192
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C(C)Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O6/c1-12-6-5-7-14(10-12)26-11-17(22)19-20-18(23)13(2)27-16-9-4-3-8-15(16)21(24)25/h3-10,13H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXVIAIIFTIUPITF-UHFFFAOYSA-N
XLogP1.90
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944233
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206084
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 43005484
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
1-[2-(3-methylphenoxy)ethoxy]-2-nitrobenzene
CID 112781476
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide (CID 4944192) is N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide is Cc1cccc(OCC(=O)NNC(=O)C(C)Oc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
The InChIKey is XVIAIIFTIUPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-12-6-5-7-14(10-12)26-11-17(22)19-20-18(23)13(2)27-16-9-4-3-8-15(16)21(24)25/h3-10,13H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide?
N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide has a molecular weight of 373.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 4944192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).