3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide

C21H24N2O7 — CID 2088517

IUPAC3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O7/c1-5-16(24)13-6-8-15(9-7-13)30-12-19(25)22-23-21(26)14-10-17(27-2)20(29-4)18(11-14)28-3/h6-11H,5,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyNLTFWYKIHTXDRV-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.15
Rot. Bonds9

About 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide

3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide (PubChem CID 2088517) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
PubChem CID2088517
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O7/c1-5-16(24)13-6-8-15(9-7-13)30-12-19(25)22-23-21(26)14-10-17(27-2)20(29-4)18(11-14)28-3/h6-11H,5,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyNLTFWYKIHTXDRV-UHFFFAOYSA-N
XLogP2.15
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
4-hexoxy-N'-[2-(3,4,5-trimethoxyphenyl)acetyl]benzohydrazide
CID 24677365
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655569
3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2121805

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide (CID 2088517) is 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide is CCC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The InChIKey is NLTFWYKIHTXDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-5-16(24)13-6-8-15(9-7-13)30-12-19(25)22-23-21(26)14-10-17(27-2)20(29-4)18(11-14)28-3/h6-11H,5,12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide has a molecular weight of 416.43 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 2088517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).