4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide

C21H26N2O4 — CID 78585454

IUPAC4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide
SMILESCCCC(C(=O)NNC(=O)c1ccc(OCC)c(OC)c1)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-4-9-17(15-10-7-6-8-11-15)21(25)23-22-20(24)16-12-13-18(27-5-2)19(14-16)26-3/h6-8,10-14,17H,4-5,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFKHOUIPGYIQNAD-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.44
Rot. Bonds8

About 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide

4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide (PubChem CID 78585454) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide
PubChem CID78585454
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide
SMILESCCCC(C(=O)NNC(=O)c1ccc(OCC)c(OC)c1)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-4-9-17(15-10-7-6-8-11-15)21(25)23-22-20(24)16-12-13-18(27-5-2)19(14-16)26-3/h6-8,10-14,17H,4-5,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFKHOUIPGYIQNAD-UHFFFAOYSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N'-[(2R)-2-phenylpentanoyl]benzohydrazide
CID 9492761
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458
4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
CID 9340857
1-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 46643345
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
[(2S)-1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9151364
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide (CID 78585454) is 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide is CCCC(C(=O)NNC(=O)c1ccc(OCC)c(OC)c1)c1ccccc1.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide?
The InChIKey is FKHOUIPGYIQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-9-17(15-10-7-6-8-11-15)21(25)23-22-20(24)16-12-13-18(27-5-2)19(14-16)26-3/h6-8,10-14,17H,4-5,9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide?
4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide is sourced from PubChem (CID 78585454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).