4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide

C23H28N2O4 — CID 46423810

IUPAC4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-3-4-8-17-29-20-13-11-19(12-14-20)23(28)25-24-22(27)16-15-21(26)18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyYXGOCYYTBGLWPI-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.07
Rot. Bonds11

About 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide

4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide (PubChem CID 46423810) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
PubChem CID46423810
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-3-4-8-17-29-20-13-11-19(12-14-20)23(28)25-24-22(27)16-15-21(26)18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyYXGOCYYTBGLWPI-UHFFFAOYSA-N
XLogP4.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 7222142
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The IUPAC name of 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide (CID 46423810) is 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
The InChIKey is YXGOCYYTBGLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-3-4-8-17-29-20-13-11-19(12-14-20)23(28)25-24-22(27)16-15-21(26)18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide?
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide has a molecular weight of 396.49 g/mol, XLogP of 4.07, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide is sourced from PubChem (CID 46423810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).