2-(3-methoxypropoxy)-2-phenylacetohydrazide

C12H18N2O3 — CID 63587948

IUPAC2-(3-methoxypropoxy)-2-phenylacetohydrazide
SMILESCOCCCOC(C(=O)NN)c1ccccc1
InChIInChI=1S/C12H18N2O3/c1-16-8-5-9-17-11(12(15)14-13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,13H2,1H3,(H,14,15)
InChIKeyIGVLXNYSKCJVGT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.77
Rot. Bonds7

About 2-(3-methoxypropoxy)-2-phenylacetohydrazide

2-(3-methoxypropoxy)-2-phenylacetohydrazide (PubChem CID 63587948) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-2-phenylacetohydrazide
PubChem CID63587948
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3-methoxypropoxy)-2-phenylacetohydrazide
SMILESCOCCCOC(C(=O)NN)c1ccccc1
InChIInChI=1S/C12H18N2O3/c1-16-8-5-9-17-11(12(15)14-13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,13H2,1H3,(H,14,15)
InChIKeyIGVLXNYSKCJVGT-UHFFFAOYSA-N
XLogP0.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.77
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 2-(3-methoxypropoxy)-2-phenylacetohydrazide 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

2-[3-(2-methoxyethoxy)propoxy]-2-phenylacetohydrazide
CID 103407127
2-phenyl-2-propoxyacetohydrazide
CID 63569629
methyl 2-(3-aminopropoxy)-2-phenylacetate
CID 82352677
3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide
CID 64560373
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
3-[3-methoxypropyl(methyl)amino]-2-phenylpropanehydrazide
CID 64566055
2-phenyl-2-(3-phenylprop-2-enoxy)acetohydrazide
CID 77002066
2-[(2-chlorophenyl)methoxy]-2-phenylacetohydrazide
CID 63588720
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
CID 63577148

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-2-phenylacetohydrazide?
The IUPAC name of 2-(3-methoxypropoxy)-2-phenylacetohydrazide (CID 63587948) is 2-(3-methoxypropoxy)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(3-methoxypropoxy)-2-phenylacetohydrazide?
The canonical SMILES for 2-(3-methoxypropoxy)-2-phenylacetohydrazide is COCCCOC(C(=O)NN)c1ccccc1.
What is the InChIKey of 2-(3-methoxypropoxy)-2-phenylacetohydrazide?
The InChIKey is IGVLXNYSKCJVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-8-5-9-17-11(12(15)14-13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(3-methoxypropoxy)-2-phenylacetohydrazide?
2-(3-methoxypropoxy)-2-phenylacetohydrazide has a molecular weight of 238.29 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-2-phenylacetohydrazide is sourced from PubChem (CID 63587948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).