N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide

C19H24N2O5 — CID 26784336

IUPACN'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C19H24N2O5/c1-5-6-9-25-16-8-7-14(11-17(16)24-4)18(22)20-21-19(23)15-10-12(2)26-13(15)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYTRSCKSLIGCWQB-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.16
Rot. Bonds7

About N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 26784336) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
PubChem CID26784336
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C19H24N2O5/c1-5-6-9-25-16-8-7-14(11-17(16)24-4)18(22)20-21-19(23)15-10-12(2)26-13(15)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYTRSCKSLIGCWQB-UHFFFAOYSA-N
XLogP3.16
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.16
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'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
5-[[(4-butoxy-3-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226761
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide (CID 26784336) is N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is YTRSCKSLIGCWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-5-6-9-25-16-8-7-14(11-17(16)24-4)18(22)20-21-19(23)15-10-12(2)26-13(15)3/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 360.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26784336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).