N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide

C22H28N2O6 — CID 24553442

IUPACN'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OCC)c2)cc1OC
InChIInChI=1S/C22H28N2O6/c1-5-7-12-30-18-11-9-15(13-19(18)28-4)21(25)23-24-22(26)16-8-10-17(27-3)20(14-16)29-6-2/h8-11,13-14H,5-7,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLMEZEMDCXGDVEK-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.36
Rot. Bonds10

About N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide (PubChem CID 24553442) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
PubChem CID24553442
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OCC)c2)cc1OC
InChIInChI=1S/C22H28N2O6/c1-5-7-12-30-18-11-9-15(13-19(18)28-4)21(25)23-24-22(26)16-8-10-17(27-3)20(14-16)29-6-2/h8-11,13-14H,5-7,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLMEZEMDCXGDVEK-UHFFFAOYSA-N
XLogP3.36
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.36
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'}

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Related Compounds

N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
1-[(4-butoxy-3-ethoxybenzoyl)amino]-3-tert-butylthiourea
CID 9425703
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
4-butoxy-3-methoxybenzamide
CID 47102628
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide (CID 24553442) is N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(OCC)c2)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide?
The InChIKey is LMEZEMDCXGDVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-5-7-12-30-18-11-9-15(13-19(18)28-4)21(25)23-24-22(26)16-8-10-17(27-3)20(14-16)29-6-2/h8-11,13-14H,5-7,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide has a molecular weight of 416.47 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide is sourced from PubChem (CID 24553442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).