N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide

C27H32N2O6 — CID 20655663

IUPACN'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide
SMILESCOCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc3cc(COOC)ccc3c2)cc1
InChIInChI=1S/C27H32N2O6/c1-32-15-5-3-4-6-16-34-25-13-11-21(12-14-25)26(30)28-29-27(31)24-10-9-22-17-20(19-35-33-2)7-8-23(22)18-24/h7-14,17-18H,3-6,15-16,19H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyAUCHBLUNYDSWAF-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.58
Rot. Bonds13

About N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide

N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide (PubChem CID 20655663) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide
PubChem CID20655663
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC NameN'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide
SMILESCOCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc3cc(COOC)ccc3c2)cc1
InChIInChI=1S/C27H32N2O6/c1-32-15-5-3-4-6-16-34-25-13-11-21(12-14-25)26(30)28-29-27(31)24-10-9-22-17-20(19-35-33-2)7-8-23(22)18-24/h7-14,17-18H,3-6,15-16,19H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyAUCHBLUNYDSWAF-UHFFFAOYSA-N
XLogP4.58
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(8-methoxyoctyl)naphthalene-2-carboxylic acid
CID 151877744
methyl 4-[[[4-[4-(3-methoxypropoxy)phenyl]benzoyl]amino]carbamoyl]benzoate
CID 20655642
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
CID 137270173
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
(4-methoxyphenyl) 4-(6-methoxyhexoxy)benzoate
CID 142377359
6-(2-methoxyethoxymethoxy)-N-methylnaphthalene-2-carboxamide
CID 141090220

Frequently Asked Questions

What is the IUPAC name of N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide?
The IUPAC name of N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide (CID 20655663) is N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide?
The canonical SMILES for N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide is COCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc3cc(COOC)ccc3c2)cc1.
What is the InChIKey of N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide?
The InChIKey is AUCHBLUNYDSWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-32-15-5-3-4-6-16-34-25-13-11-21(12-14-25)26(30)28-29-27(31)24-10-9-22-17-20(19-35-33-2)7-8-23(22)18-24/h7-14,17-18H,3-6,15-16,19H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide?
N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide has a molecular weight of 480.56 g/mol, XLogP of 4.58, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(6-methoxyhexoxy)benzoyl]-6-(methylperoxymethyl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 20655663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).