3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide

C23H30N2O7 — CID 24537475

IUPAC3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)ccc1OC
InChIInChI=1S/C23H30N2O7/c1-6-29-18-12-15(10-11-17(18)28-5)22(26)24-25-23(27)16-13-19(30-7-2)21(32-9-4)20(14-16)31-8-3/h10-14H,6-9H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyKKPVTMHTRMAPEB-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.36
Rot. Bonds11

About 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide

3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide (PubChem CID 24537475) has the molecular formula C23H30N2O7 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
PubChem CID24537475
Molecular FormulaC23H30N2O7
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC Name3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)ccc1OC
InChIInChI=1S/C23H30N2O7/c1-6-29-18-12-15(10-11-17(18)28-5)22(26)24-25-23(27)16-13-19(30-7-2)21(32-9-4)20(14-16)31-8-3/h10-14H,6-9H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyKKPVTMHTRMAPEB-UHFFFAOYSA-N
XLogP3.36
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.36
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'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
CID 55834203

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide?
The IUPAC name of 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide (CID 24537475) is 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide?
The canonical SMILES for 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide is CCOc1cc(C(=O)NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)ccc1OC.
What is the InChIKey of 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide?
The InChIKey is KKPVTMHTRMAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O7/c1-6-29-18-12-15(10-11-17(18)28-5)22(26)24-25-23(27)16-13-19(30-7-2)21(32-9-4)20(14-16)31-8-3/h10-14H,6-9H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide?
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide has a molecular weight of 446.50 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide is sourced from PubChem (CID 24537475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).