3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide

C25H29N3O5 — CID 46422379

IUPAC3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)Cc2ccc(-n3cccc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C25H29N3O5/c1-4-31-21-16-19(17-22(32-5-2)24(21)33-6-3)25(30)27-26-23(29)15-18-9-11-20(12-10-18)28-13-7-8-14-28/h7-14,16-17H,4-6,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKIBRDCCWWFKZLO-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.68
Rot. Bonds10

About 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide

3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide (PubChem CID 46422379) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide
PubChem CID46422379
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)Cc2ccc(-n3cccc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C25H29N3O5/c1-4-31-21-16-19(17-22(32-5-2)24(21)33-6-3)25(30)27-26-23(29)15-18-9-11-20(12-10-18)28-13-7-8-14-28/h7-14,16-17H,4-6,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKIBRDCCWWFKZLO-UHFFFAOYSA-N
XLogP3.68
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.68
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'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide
CID 26798030
N'-[3-(2,4-dichlorophenyl)propanoyl]-3,4,5-triethoxybenzohydrazide
CID 46569178
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911264
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
CID 24517670
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47172440

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide?
The IUPAC name of 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide (CID 46422379) is 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide?
The canonical SMILES for 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide is CCOc1cc(C(=O)NNC(=O)Cc2ccc(-n3cccc3)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide?
The InChIKey is KIBRDCCWWFKZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-4-31-21-16-19(17-22(32-5-2)24(21)33-6-3)25(30)27-26-23(29)15-18-9-11-20(12-10-18)28-13-7-8-14-28/h7-14,16-17H,4-6,15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide?
3,4,5-triethoxy-N'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide has a molecular weight of 451.52 g/mol, XLogP of 3.68, 10 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'-[2-(4-pyrrol-1-ylphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 46422379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).