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

C18H19N3O6 — CID 43005484

IUPAC3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O6/c1-13-5-4-6-14(11-13)26-10-9-17(22)19-20-18(23)12-27-16-8-3-2-7-15(16)21(24)25/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNRRIXKKLXYAUAE-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.90
Rot. Bonds8

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

3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide (PubChem CID 43005484) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
PubChem CID43005484
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O6/c1-13-5-4-6-14(11-13)26-10-9-17(22)19-20-18(23)12-27-16-8-3-2-7-15(16)21(24)25/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNRRIXKKLXYAUAE-UHFFFAOYSA-N
XLogP1.90
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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

1-[2-(3-methylphenoxy)ethoxy]-2-nitrobenzene
CID 112781476
N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944192
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9484953
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139404
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide (CID 43005484) is 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide is Cc1cccc(OCCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
The InChIKey is NRRIXKKLXYAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-13-5-4-6-14(11-13)26-10-9-17(22)19-20-18(23)12-27-16-8-3-2-7-15(16)21(24)25/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide has a molecular weight of 373.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 43005484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).