N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide

C34H46N2O3 — CID 162371332

IUPACN'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
SMILESCCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-39-30-25-23-29(24-26-30)33(37)35-36-34(38)32-22-18-20-28-19-15-16-21-31(28)32/h15-16,18-26H,2-14,17,27H2,1H3,(H,35,37)(H,36,38)
InChIKeyLOJOBAKGHGOOQH-UHFFFAOYSA-N
MW530.75 g/mol
LogP8.77
Rot. Bonds18

About N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide

N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide (PubChem CID 162371332) has the molecular formula C34H46N2O3 and a molecular weight of 530.75 g/mol. Its IUPAC name is N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
PubChem CID162371332
Molecular FormulaC34H46N2O3
Molecular Weight530.75 g/mol
Exact Mass530.35
IUPAC NameN'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
SMILESCCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-39-30-25-23-29(24-26-30)33(37)35-36-34(38)32-22-18-20-28-19-15-16-21-31(28)32/h15-16,18-26H,2-14,17,27H2,1H3,(H,35,37)(H,36,38)
InChIKeyLOJOBAKGHGOOQH-UHFFFAOYSA-N
XLogP8.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.75
LogP ≤ 58.77
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'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
4-hexoxy-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 4933802
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795

Frequently Asked Questions

What is the IUPAC name of N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide?
The IUPAC name of N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide (CID 162371332) is N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide?
The canonical SMILES for N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide is CCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide?
The InChIKey is LOJOBAKGHGOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-39-30-25-23-29(24-26-30)33(37)35-36-34(38)32-22-18-20-28-19-15-16-21-31(28)32/h15-16,18-26H,2-14,17,27H2,1H3,(H,35,37)(H,36,38).
What are the key properties of N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide?
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide has a molecular weight of 530.75 g/mol, XLogP of 8.77, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide is sourced from PubChem (CID 162371332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).