N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C22H22N2O6 — CID 9219862

IUPACN'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O6/c1-2-27-17-8-10-18(11-9-17)29-15-21(25)23-24-22(26)20-13-12-19(30-20)14-28-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyYBXIKHXKZDMWBC-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.10
Rot. Bonds9

About N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 9219862) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID9219862
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC NameN'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O6/c1-2-27-17-8-10-18(11-9-17)29-15-21(25)23-24-22(26)20-13-12-19(30-20)14-28-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyYBXIKHXKZDMWBC-UHFFFAOYSA-N
XLogP3.10
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.10
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-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 9219862) is N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is CCOc1ccc(OCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is YBXIKHXKZDMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-2-27-17-8-10-18(11-9-17)29-15-21(25)23-24-22(26)20-13-12-19(30-20)14-28-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 410.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 9219862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).