2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide

C21H20N2O5 — CID 24633129

IUPAC2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
SMILESCc1ccc(Oc2ccc(OCC(=O)NNC(=O)c3ccoc3C)cc2)cc1
InChIInChI=1S/C21H20N2O5/c1-14-3-5-17(6-4-14)28-18-9-7-16(8-10-18)27-13-20(24)22-23-21(25)19-11-12-26-15(19)2/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUIJXHNBMSMDDHQ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.53
Rot. Bonds6

About 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide

2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide (PubChem CID 24633129) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
PubChem CID24633129
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
SMILESCc1ccc(Oc2ccc(OCC(=O)NNC(=O)c3ccoc3C)cc2)cc1
InChIInChI=1S/C21H20N2O5/c1-14-3-5-17(6-4-14)28-18-9-7-16(8-10-18)27-13-20(24)22-23-21(25)19-11-12-26-15(19)2/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUIJXHNBMSMDDHQ-UHFFFAOYSA-N
XLogP3.53
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78895668
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 3931565
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 78873426
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
CID 31287028
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
2-methyl-N'-(3-phenoxybenzoyl)furan-3-carbohydrazide
CID 7809073
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide (CID 24633129) is 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide is Cc1ccc(Oc2ccc(OCC(=O)NNC(=O)c3ccoc3C)cc2)cc1.
What is the InChIKey of 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide?
The InChIKey is UIJXHNBMSMDDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14-3-5-17(6-4-14)28-18-9-7-16(8-10-18)27-13-20(24)22-23-21(25)19-11-12-26-15(19)2/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide?
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 24633129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).