5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide

C16H20N2O3 — CID 63570213

IUPAC5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COCCCc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12-14(10-15(21-12)16(19)18-17)11-20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyLEKJUYGXMBCCDS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds7

About 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide

5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide (PubChem CID 63570213) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
PubChem CID63570213
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COCCCc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12-14(10-15(21-12)16(19)18-17)11-20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11,17H2,1H3,(H,18,19)
InChIKeyLEKJUYGXMBCCDS-UHFFFAOYSA-N
XLogP2.34
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-(3-phenylprop-2-enoxymethyl)furan-2-carbohydrazide
CID 77002080
N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine
CID 62484208
4-[(4-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 65130569
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid
CID 62274131
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63570034
5-methyl-4-[(2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63574456
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63575453

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide (CID 63570213) is 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COCCCc1ccccc1.
What is the InChIKey of 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide?
The InChIKey is LEKJUYGXMBCCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-14(10-15(21-12)16(19)18-17)11-20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11,17H2,1H3,(H,18,19).
What are the key properties of 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide?
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63570213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).