2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide

C15H22N2O3 — CID 105351515

IUPAC2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(15(18)17-16)13-4-2-12(3-5-13)10-20-14-6-8-19-9-7-14/h2-5,11,14H,6-10,16H2,1H3,(H,17,18)
InChIKeyLZPPZVSCZHJVQS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.48
Rot. Bonds5

About 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide

2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide (PubChem CID 105351515) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
PubChem CID105351515
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(15(18)17-16)13-4-2-12(3-5-13)10-20-14-6-8-19-9-7-14/h2-5,11,14H,6-10,16H2,1H3,(H,17,18)
InChIKeyLZPPZVSCZHJVQS-UHFFFAOYSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.48
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'}

Analyze 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide 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-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
CID 105351507
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea
CID 84590236
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
CID 168763654
CID 168763654
2-methyl-3-[methyl-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]amino]propanoic acid
CID 122007538
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
CID 105351573
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide (CID 105351515) is 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(COC2CCOCC2)cc1.
What is the InChIKey of 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide?
The InChIKey is LZPPZVSCZHJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(15(18)17-16)13-4-2-12(3-5-13)10-20-14-6-8-19-9-7-14/h2-5,11,14H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide?
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide has a molecular weight of 278.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide is sourced from PubChem (CID 105351515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).