4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide

C25H27N3O6 — CID 30837646

IUPAC4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)cc1OC
InChIInChI=1S/C25H27N3O6/c1-4-32-20-10-8-18(13-22(20)31-3)24(29)27-28-25(30)19-9-11-21(23(14-19)33-5-2)34-16-17-7-6-12-26-15-17/h6-15H,4-5,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeySTKTYQFBJCODLR-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.54
Rot. Bonds10

About 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide

4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide (PubChem CID 30837646) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
PubChem CID30837646
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)cc1OC
InChIInChI=1S/C25H27N3O6/c1-4-32-20-10-8-18(13-22(20)31-3)24(29)27-28-25(30)19-9-11-21(23(14-19)33-5-2)34-16-17-7-6-12-26-15-17/h6-15H,4-5,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeySTKTYQFBJCODLR-UHFFFAOYSA-N
XLogP3.54
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.54
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

N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46586870
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 43058759
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide (CID 30837646) is 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)cc1OC.
What is the InChIKey of 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide?
The InChIKey is STKTYQFBJCODLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-4-32-20-10-8-18(13-22(20)31-3)24(29)27-28-25(30)19-9-11-21(23(14-19)33-5-2)34-16-17-7-6-12-26-15-17/h6-15H,4-5,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide?
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide has a molecular weight of 465.51 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 30837646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).