N'-heptanoyl-4-hexoxybenzohydrazide

C20H32N2O3 — CID 54789289

IUPACN'-heptanoyl-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCCCCC)cc1
InChIInChI=1S/C20H32N2O3/c1-3-5-7-9-11-19(23)21-22-20(24)17-12-14-18(15-13-17)25-16-10-8-6-4-2/h12-15H,3-11,16H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCWUZTNIDYWBAPT-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.38
Rot. Bonds12

About N'-heptanoyl-4-hexoxybenzohydrazide

N'-heptanoyl-4-hexoxybenzohydrazide (PubChem CID 54789289) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N'-heptanoyl-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-heptanoyl-4-hexoxybenzohydrazide
PubChem CID54789289
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN'-heptanoyl-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCCCCC)cc1
InChIInChI=1S/C20H32N2O3/c1-3-5-7-9-11-19(23)21-22-20(24)17-12-14-18(15-13-17)25-16-10-8-6-4-2/h12-15H,3-11,16H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCWUZTNIDYWBAPT-UHFFFAOYSA-N
XLogP4.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methylbutoxy)benzohydrazide
CID 54789257
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 94496970
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476

Frequently Asked Questions

What is the IUPAC name of N'-heptanoyl-4-hexoxybenzohydrazide?
The IUPAC name of N'-heptanoyl-4-hexoxybenzohydrazide (CID 54789289) is N'-heptanoyl-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-heptanoyl-4-hexoxybenzohydrazide?
The canonical SMILES for N'-heptanoyl-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)CCCCCC)cc1.
What is the InChIKey of N'-heptanoyl-4-hexoxybenzohydrazide?
The InChIKey is CWUZTNIDYWBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-5-7-9-11-19(23)21-22-20(24)17-12-14-18(15-13-17)25-16-10-8-6-4-2/h12-15H,3-11,16H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-heptanoyl-4-hexoxybenzohydrazide?
N'-heptanoyl-4-hexoxybenzohydrazide has a molecular weight of 348.49 g/mol, XLogP of 4.38, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptanoyl-4-hexoxybenzohydrazide is sourced from PubChem (CID 54789289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).