N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide

C24H32N2O5 — CID 17112816

IUPACN'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C24H32N2O5/c1-3-5-6-7-16-30-21-12-8-19(9-13-21)23(27)25-26-24(28)20-10-14-22(15-11-20)31-18-17-29-4-2/h8-15H,3-7,16-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRJSJLTNNQNFBBR-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.14
Rot. Bonds13

About N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide

N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide (PubChem CID 17112816) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
PubChem CID17112816
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC NameN'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOCC)cc2)cc1
InChIInChI=1S/C24H32N2O5/c1-3-5-6-7-16-30-21-12-8-19(9-13-21)23(27)25-26-24(28)20-10-14-22(15-11-20)31-18-17-29-4-2/h8-15H,3-7,16-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRJSJLTNNQNFBBR-UHFFFAOYSA-N
XLogP4.14
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17112795
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-heptoxybenzamide
CID 17130764
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide (CID 17112816) is N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOCC)cc2)cc1.
What is the InChIKey of N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide?
The InChIKey is RJSJLTNNQNFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-3-5-6-7-16-30-21-12-8-19(9-13-21)23(27)25-26-24(28)20-10-14-22(15-11-20)31-18-17-29-4-2/h8-15H,3-7,16-18H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide?
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide has a molecular weight of 428.53 g/mol, XLogP of 4.14, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 17112816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).