N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide

C25H34N2O7 — CID 25442347

IUPACN'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1OC
InChIInChI=1S/C25H34N2O7/c1-6-10-13-34-19-12-11-17(14-20(19)30-5)24(28)26-27-25(29)18-15-21(31-7-2)23(33-9-4)22(16-18)32-8-3/h11-12,14-16H,6-10,13H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyCTYVGMSTSZMTPJ-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.14
Rot. Bonds13

About N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide (PubChem CID 25442347) has the molecular formula C25H34N2O7 and a molecular weight of 474.55 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
PubChem CID25442347
Molecular FormulaC25H34N2O7
Molecular Weight474.55 g/mol
Exact Mass474.24
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1OC
InChIInChI=1S/C25H34N2O7/c1-6-10-13-34-19-12-11-17(14-20(19)30-5)24(28)26-27-25(29)18-15-21(31-7-2)23(33-9-4)22(16-18)32-8-3/h11-12,14-16H,6-10,13H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyCTYVGMSTSZMTPJ-UHFFFAOYSA-N
XLogP4.14
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
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
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide (CID 25442347) is N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide?
The InChIKey is CTYVGMSTSZMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O7/c1-6-10-13-34-19-12-11-17(14-20(19)30-5)24(28)26-27-25(29)18-15-21(31-7-2)23(33-9-4)22(16-18)32-8-3/h11-12,14-16H,6-10,13H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide has a molecular weight of 474.55 g/mol, XLogP of 4.14, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide is sourced from PubChem (CID 25442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).