3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide

C19H21N3O6 — CID 17149910

IUPAC3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O6/c1-3-13(2)28-17-6-4-5-14(11-17)19(24)21-20-18(23)12-27-16-9-7-15(8-10-16)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZBFUWXFMUQPPJV-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.61
Rot. Bonds8

About 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide

3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 17149910) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
PubChem CID17149910
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O6/c1-3-13(2)28-17-6-4-5-14(11-17)19(24)21-20-18(23)12-27-16-9-7-15(8-10-16)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZBFUWXFMUQPPJV-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 17198813
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 9314835
N-(4-butan-2-yloxyphenyl)-3-nitrobenzamide
CID 17160534

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (CID 17149910) is 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is CCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is ZBFUWXFMUQPPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-3-13(2)28-17-6-4-5-14(11-17)19(24)21-20-18(23)12-27-16-9-7-15(8-10-16)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 387.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17149910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).