N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

C22H22N2O5 — CID 31837131

IUPACN'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H22N2O5/c25-21(12-7-15-27-17-8-3-1-4-9-17)23-24-22(26)20-14-13-19(29-20)16-28-18-10-5-2-6-11-18/h1-6,8-11,13-14H,7,12,15-16H2,(H,23,25)(H,24,26)
InChIKeyMECRDKQGRRDBDR-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.48
Rot. Bonds9

About N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 31837131) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID31837131
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H22N2O5/c25-21(12-7-15-27-17-8-3-1-4-9-17)23-24-22(26)20-14-13-19(29-20)16-28-18-10-5-2-6-11-18/h1-6,8-11,13-14H,7,12,15-16H2,(H,23,25)(H,24,26)
InChIKeyMECRDKQGRRDBDR-UHFFFAOYSA-N
XLogP3.48
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
CID 9219783
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
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'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837485
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (CID 31837131) is N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(CCCOc1ccccc1)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is MECRDKQGRRDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c25-21(12-7-15-27-17-8-3-1-4-9-17)23-24-22(26)20-14-13-19(29-20)16-28-18-10-5-2-6-11-18/h1-6,8-11,13-14H,7,12,15-16H2,(H,23,25)(H,24,26).
What are the key properties of N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 394.43 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 31837131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).