4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide

C20H21N3O4 — CID 9440115

IUPAC4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-3-4-10-27-17-9-8-16(12-18(17)26-2)20(25)23-22-19(24)15-7-5-6-14(11-15)13-21/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFSHMTIPGGTZAQR-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.82
Rot. Bonds7

About 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide

4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide (PubChem CID 9440115) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
PubChem CID9440115
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-3-4-10-27-17-9-8-16(12-18(17)26-2)20(25)23-22-19(24)15-7-5-6-14(11-15)13-21/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFSHMTIPGGTZAQR-UHFFFAOYSA-N
XLogP2.82
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.82
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

N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(4-butoxy-3-methoxybenzoyl)-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 25442206

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide?
The IUPAC name of 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide (CID 9440115) is 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide.
What is the SMILES notation for 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide?
The canonical SMILES for 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cc1OC.
What is the InChIKey of 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide?
The InChIKey is FSHMTIPGGTZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-4-10-27-17-9-8-16(12-18(17)26-2)20(25)23-22-19(24)15-7-5-6-14(11-15)13-21/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide?
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide has a molecular weight of 367.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide is sourced from PubChem (CID 9440115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).