3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide

C23H30N2O6 — CID 26798030

IUPAC3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCc2ccccc2OC)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6/c1-5-29-19-14-17(15-20(30-6-2)22(19)31-7-3)23(27)25-24-21(26)13-12-16-10-8-9-11-18(16)28-4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyUQMTURPXIPOLTH-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.29
Rot. Bonds11

About 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide

3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide (PubChem CID 26798030) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide
PubChem CID26798030
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCc2ccccc2OC)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O6/c1-5-29-19-14-17(15-20(30-6-2)22(19)31-7-3)23(27)25-24-21(26)13-12-16-10-8-9-11-18(16)28-4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyUQMTURPXIPOLTH-UHFFFAOYSA-N
XLogP3.29
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.29
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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Related Compounds

N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide
CID 46569178
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide
CID 46422379
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524255
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide?
The IUPAC name of 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide (CID 26798030) is 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide.
What is the SMILES notation for 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide?
The canonical SMILES for 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide is CCOc1cc(C(=O)NNC(=O)CCc2ccccc2OC)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide?
The InChIKey is UQMTURPXIPOLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-5-29-19-14-17(15-20(30-6-2)22(19)31-7-3)23(27)25-24-21(26)13-12-16-10-8-9-11-18(16)28-4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide?
3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide has a molecular weight of 430.50 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 26798030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).