4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide

C22H27N3O6 — CID 4950785

IUPAC4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H27N3O6/c1-2-3-4-5-6-15-30-19-11-7-17(8-12-19)22(27)24-23-21(26)16-31-20-13-9-18(10-14-20)25(28)29/h7-14H,2-6,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyIOYOZMXCEIETSE-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.78
Rot. Bonds12

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

4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 4950785) has the molecular formula C22H27N3O6 and a molecular weight of 429.47 g/mol. Its IUPAC name is 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
PubChem CID4950785
Molecular FormulaC22H27N3O6
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H27N3O6/c1-2-3-4-5-6-15-30-19-11-7-17(8-12-19)22(27)24-23-21(26)16-31-20-13-9-18(10-14-20)25(28)29/h7-14H,2-6,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyIOYOZMXCEIETSE-UHFFFAOYSA-N
XLogP3.78
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.78
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

4-hexoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4930776
N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide
CID 4935987
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
N'-[2-(4-nitrophenoxy)acetyl]octanehydrazide
CID 4958800
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-hexoxy-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17187078
1-nitro-4-octadecoxybenzene
CID 4258205
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
1-nitro-4-[1-(4-octoxyphenyl)ethenyl]benzene
CID 19835485
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (CID 4950785) is 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is IOYOZMXCEIETSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6/c1-2-3-4-5-6-15-30-19-11-7-17(8-12-19)22(27)24-23-21(26)16-31-20-13-9-18(10-14-20)25(28)29/h7-14H,2-6,15-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 429.47 g/mol, XLogP of 3.78, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4950785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).