N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide

C19H21N3O6 — CID 4502703

IUPACN'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H21N3O6/c1-13(2)14-3-7-16(8-4-14)27-11-18(23)20-21-19(24)12-28-17-9-5-15(6-10-17)22(25)26/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPWNUOXXTKDEESU-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.32
Rot. Bonds8

About N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide

N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide (PubChem CID 4502703) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
PubChem CID4502703
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
SMILESCC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H21N3O6/c1-13(2)14-3-7-16(8-4-14)27-11-18(23)20-21-19(24)12-28-17-9-5-15(6-10-17)22(25)26/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPWNUOXXTKDEESU-UHFFFAOYSA-N
XLogP2.32
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.32
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-(4-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871035
(2S)-N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9240937
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
1-(3-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871027
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
N'-[2-(4-bromophenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951401
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
2-methyl-3-[[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62675493

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide (CID 4502703) is N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide is CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is PWNUOXXTKDEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-13(2)14-3-7-16(8-4-14)27-11-18(23)20-21-19(24)12-28-17-9-5-15(6-10-17)22(25)26/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide?
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide has a molecular weight of 387.39 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 4502703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).