3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide

C22H28N2O6 — CID 43003826

IUPAC3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H28N2O6/c1-5-27-17-9-11-18(12-10-17)30-15(4)21(25)23-24-22(26)16-8-13-19(28-6-2)20(14-16)29-7-3/h8-15H,5-7H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZSSQKQILVKQTLR-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.11
Rot. Bonds10

About 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide

3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide (PubChem CID 43003826) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
PubChem CID43003826
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H28N2O6/c1-5-27-17-9-11-18(12-10-17)30-15(4)21(25)23-24-22(26)16-8-13-19(28-6-2)20(14-16)29-7-3/h8-15H,5-7H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZSSQKQILVKQTLR-UHFFFAOYSA-N
XLogP3.11
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.11
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'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 24503076
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9343683
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8573954
3-cyano-N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 8960544
[3-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 52522344
[3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 52522345
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2,4,5-trimethoxybenzohydrazide
CID 9343633
5-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N,N-diethyl-2-fluorobenzenesulfonamide
CID 55343944

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
The IUPAC name of 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide (CID 43003826) is 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2ccc(OCC)c(OCC)c2)cc1.
What is the InChIKey of 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
The InChIKey is ZSSQKQILVKQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-5-27-17-9-11-18(12-10-17)30-15(4)21(25)23-24-22(26)16-8-13-19(28-6-2)20(14-16)29-7-3/h8-15H,5-7H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide?
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide has a molecular weight of 416.47 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 43003826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).