N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide

C26H29N3O5 — CID 43058759

IUPACN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)ccc1OCc1cccnc1
InChIInChI=1S/C26H29N3O5/c1-5-32-24-14-21(11-12-23(24)33-16-20-9-7-13-27-15-20)26(31)29-28-25(30)19(4)34-22-10-6-8-17(2)18(22)3/h6-15,19H,5,16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyXGSINTHIBYWLPH-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.90
Rot. Bonds9

About N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide

N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide (PubChem CID 43058759) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide
PubChem CID43058759
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)ccc1OCc1cccnc1
InChIInChI=1S/C26H29N3O5/c1-5-32-24-14-21(11-12-23(24)33-16-20-9-7-13-27-15-20)26(31)29-28-25(30)19(4)34-22-10-6-8-17(2)18(22)3/h6-15,19H,5,16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyXGSINTHIBYWLPH-UHFFFAOYSA-N
XLogP3.90
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide?
The IUPAC name of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide (CID 43058759) is N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide is CCOc1cc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2C)ccc1OCc1cccnc1.
What is the InChIKey of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide?
The InChIKey is XGSINTHIBYWLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-5-32-24-14-21(11-12-23(24)33-16-20-9-7-13-27-15-20)26(31)29-28-25(30)19(4)34-22-10-6-8-17(2)18(22)3/h6-15,19H,5,16H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide?
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide has a molecular weight of 463.53 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide is sourced from PubChem (CID 43058759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).