N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide

C24H30N2O6 — CID 35781657

IUPACN'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C24H30N2O6/c1-4-5-14-32-21-13-10-19(16-22(21)30-3)24(29)26-25-23(28)7-6-15-31-20-11-8-18(9-12-20)17(2)27/h8-13,16H,4-7,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLIJGACWMMGRAPO-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.70
Rot. Bonds12

About N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide

N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide (PubChem CID 35781657) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
PubChem CID35781657
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC NameN'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C24H30N2O6/c1-4-5-14-32-21-13-10-19(16-22(21)30-3)24(29)26-25-23(28)7-6-15-31-20-11-8-18(9-12-20)17(2)27/h8-13,16H,4-7,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLIJGACWMMGRAPO-UHFFFAOYSA-N
XLogP3.70
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.70
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

4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide (CID 35781657) is N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide?
The InChIKey is LIJGACWMMGRAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-4-5-14-32-21-13-10-19(16-22(21)30-3)24(29)26-25-23(28)7-6-15-31-20-11-8-18(9-12-20)17(2)27/h8-13,16H,4-7,14-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide?
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide has a molecular weight of 442.51 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 35781657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).