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

C13H17N3O6 — CID 17357929

IUPAC3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
SMILESCCOCCC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O6/c1-2-21-8-7-12(17)14-15-13(18)9-22-11-6-4-3-5-10(11)16(19)20/h3-6H,2,7-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyUAEOPFCIOAKLBA-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.55
Rot. Bonds8

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

3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide (PubChem CID 17357929) has the molecular formula C13H17N3O6 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
PubChem CID17357929
Molecular FormulaC13H17N3O6
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
SMILESCCOCCC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O6/c1-2-21-8-7-12(17)14-15-13(18)9-22-11-6-4-3-5-10(11)16(19)20/h3-6H,2,7-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyUAEOPFCIOAKLBA-UHFFFAOYSA-N
XLogP0.55
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 43005484
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
N-(3-ethoxypropylcarbamoyl)-2-(2-nitrophenoxy)acetamide
CID 4823165
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 62520470
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
CID 4931201
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide (CID 17357929) is 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide is CCOCCC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
The InChIKey is UAEOPFCIOAKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6/c1-2-21-8-7-12(17)14-15-13(18)9-22-11-6-4-3-5-10(11)16(19)20/h3-6H,2,7-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide?
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide has a molecular weight of 311.29 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 17357929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).