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

C12H15N3O5 — CID 3510439

IUPACN'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O5/c1-2-3-11(16)13-14-12(17)8-20-10-6-4-9(5-7-10)15(18)19/h4-7H,2-3,8H2,1H3,(H,13,16)(H,14,17)
InChIKeySCGBDKAJVCNZQI-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.92
Rot. Bonds6

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

N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide (PubChem CID 3510439) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
PubChem CID3510439
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O5/c1-2-3-11(16)13-14-12(17)8-20-10-6-4-9(5-7-10)15(18)19/h4-7H,2-3,8H2,1H3,(H,13,16)(H,14,17)
InChIKeySCGBDKAJVCNZQI-UHFFFAOYSA-N
XLogP0.92
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-nitrophenoxy)acetyl]octanehydrazide
CID 4958800
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
4-hexoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4930776
4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4950785
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide (CID 3510439) is N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide is CCCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide?
The InChIKey is SCGBDKAJVCNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-2-3-11(16)13-14-12(17)8-20-10-6-4-9(5-7-10)15(18)19/h4-7H,2-3,8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide?
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide has a molecular weight of 281.27 g/mol, XLogP of 0.92, 6 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]butanehydrazide is sourced from PubChem (CID 3510439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).