N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide

C17H20N2O5 — CID 25442733

IUPACN'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccoc2)cc1OC
InChIInChI=1S/C17H20N2O5/c1-3-4-8-24-14-6-5-12(10-15(14)22-2)16(20)18-19-17(21)13-7-9-23-11-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXAVLIBADZMKOCA-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.54
Rot. Bonds7

About N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide (PubChem CID 25442733) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
PubChem CID25442733
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccoc2)cc1OC
InChIInChI=1S/C17H20N2O5/c1-3-4-8-24-14-6-5-12(10-15(14)22-2)16(20)18-19-17(21)13-7-9-23-11-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXAVLIBADZMKOCA-UHFFFAOYSA-N
XLogP2.54
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.54
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)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide
CID 39970273
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide
CID 24553459
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide (CID 25442733) is N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccoc2)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide?
The InChIKey is XAVLIBADZMKOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-3-4-8-24-14-6-5-12(10-15(14)22-2)16(20)18-19-17(21)13-7-9-23-11-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide has a molecular weight of 332.36 g/mol, XLogP of 2.54, 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)furan-3-carbohydrazide is sourced from PubChem (CID 25442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).