N'-benzoyl-4-butoxy-3-methoxybenzohydrazide

C19H22N2O4 — CID 9440054

IUPACN'-benzoyl-4-butoxy-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-3-4-12-25-16-11-10-15(13-17(16)24-2)19(23)21-20-18(22)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJNQARQSOTQNDEW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.95
Rot. Bonds7

About N'-benzoyl-4-butoxy-3-methoxybenzohydrazide

N'-benzoyl-4-butoxy-3-methoxybenzohydrazide (PubChem CID 9440054) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-benzoyl-4-butoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-butoxy-3-methoxybenzohydrazide
PubChem CID9440054
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-benzoyl-4-butoxy-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-3-4-12-25-16-11-10-15(13-17(16)24-2)19(23)21-20-18(22)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJNQARQSOTQNDEW-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889507
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
(2-benzamido-2-oxoethyl) 4-butoxy-3-methoxybenzoate
CID 42969317
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-butoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-benzoyl-4-butoxy-3-methoxybenzohydrazide (CID 9440054) is N'-benzoyl-4-butoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-benzoyl-4-butoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-benzoyl-4-butoxy-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N'-benzoyl-4-butoxy-3-methoxybenzohydrazide?
The InChIKey is JNQARQSOTQNDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-4-12-25-16-11-10-15(13-17(16)24-2)19(23)21-20-18(22)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-benzoyl-4-butoxy-3-methoxybenzohydrazide?
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-butoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 9440054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).