5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide

C16H20N2O3 — CID 63574464

IUPAC5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccccc1C(C)C
InChIInChI=1S/C16H20N2O3/c1-10(2)13-6-4-5-7-14(13)20-9-12-8-15(16(19)18-17)21-11(12)3/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyOIYMTESFDDQTQY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.89
Rot. Bonds5

About 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide

5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63574464) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
PubChem CID63574464
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COc1ccccc1C(C)C
InChIInChI=1S/C16H20N2O3/c1-10(2)13-6-4-5-7-14(13)20-9-12-8-15(16(19)18-17)21-11(12)3/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyOIYMTESFDDQTQY-UHFFFAOYSA-N
XLogP2.89
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63574456
N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62459784
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63575453
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63575043
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide (CID 63574464) is 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COc1ccccc1C(C)C.
What is the InChIKey of 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is OIYMTESFDDQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)13-6-4-5-7-14(13)20-9-12-8-15(16(19)18-17)21-11(12)3/h4-8,10H,9,17H2,1-3H3,(H,18,19).
What are the key properties of 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide?
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63574464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).