N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C22H22N2O6 — CID 9219844

IUPACN'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OC
InChIInChI=1S/C22H22N2O6/c1-27-18-10-8-15(12-20(18)28-2)13-21(25)23-24-22(26)19-11-9-17(30-19)14-29-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGWUYSZWGJLDWRM-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.88
Rot. Bonds8

About N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 9219844) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID9219844
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OC
InChIInChI=1S/C22H22N2O6/c1-27-18-10-8-15(12-20(18)28-2)13-21(25)23-24-22(26)19-11-9-17(30-19)14-29-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGWUYSZWGJLDWRM-UHFFFAOYSA-N
XLogP2.88
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.88
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-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9187429
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 9219844) is N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OC.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is GWUYSZWGJLDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-27-18-10-8-15(12-20(18)28-2)13-21(25)23-24-22(26)19-11-9-17(30-19)14-29-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 410.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 9219844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).