3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide

C24H25N3O4 — CID 55576010

IUPAC3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(CC)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C24H25N3O4/c1-3-17-5-7-19(8-6-17)23(28)26-27-24(29)20-9-10-21(22(15-20)30-4-2)31-16-18-11-13-25-14-12-18/h5-15H,3-4,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPLHGILIDHUTCCJ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.70
Rot. Bonds8

About 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide

3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide (PubChem CID 55576010) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
PubChem CID55576010
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(CC)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C24H25N3O4/c1-3-17-5-7-19(8-6-17)23(28)26-27-24(29)20-9-10-21(22(15-20)30-4-2)31-16-18-11-13-25-14-12-18/h5-15H,3-4,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPLHGILIDHUTCCJ-UHFFFAOYSA-N
XLogP3.70
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
4-bromo-N'-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 39641079
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55557389
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
CID 56576167
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide?
The IUPAC name of 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide (CID 55576010) is 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide.
What is the SMILES notation for 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide?
The canonical SMILES for 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccc(CC)cc2)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide?
The InChIKey is PLHGILIDHUTCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-17-5-7-19(8-6-17)23(28)26-27-24(29)20-9-10-21(22(15-20)30-4-2)31-16-18-11-13-25-14-12-18/h5-15H,3-4,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide?
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide has a molecular weight of 419.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide is sourced from PubChem (CID 55576010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).