N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide

C16H23N3O5 — CID 4958800

IUPACN'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
SMILESCCCCCCCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H23N3O5/c1-2-3-4-5-6-7-15(20)17-18-16(21)12-24-14-10-8-13(9-11-14)19(22)23/h8-11H,2-7,12H2,1H3,(H,17,20)(H,18,21)
InChIKeyVWRASGNXOPUESK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.48
Rot. Bonds10

About N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide

N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide (PubChem CID 4958800) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
PubChem CID4958800
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
SMILESCCCCCCCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H23N3O5/c1-2-3-4-5-6-7-15(20)17-18-16(21)12-24-14-10-8-13(9-11-14)19(22)23/h8-11H,2-7,12H2,1H3,(H,17,20)(H,18,21)
InChIKeyVWRASGNXOPUESK-UHFFFAOYSA-N
XLogP2.48
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
4-hexoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4930776
4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4950785
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
N-(heptylcarbamothioyl)-2-(4-nitrophenoxy)acetamide
CID 3354730
N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide
CID 4935987
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
1-nitro-4-octadecoxybenzene
CID 4258205
formic acid;1-hexoxy-4-nitrobenzene
CID 171658812
N-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
(4-nitrophenyl) hexacosanoate
CID 10907416

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide (CID 4958800) is N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide is CCCCCCCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide?
The InChIKey is VWRASGNXOPUESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-2-3-4-5-6-7-15(20)17-18-16(21)12-24-14-10-8-13(9-11-14)19(22)23/h8-11H,2-7,12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide?
N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide has a molecular weight of 337.38 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide is sourced from PubChem (CID 4958800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).