3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide

C16H25N3O2 — CID 64567514

IUPAC3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
SMILESCN(CC1CCCOC1)CC(C(=O)NN)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-19(10-13-6-5-9-21-12-13)11-15(16(20)18-17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyFRACALISALGYDF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.12
Rot. Bonds6

About 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide

3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide (PubChem CID 64567514) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
PubChem CID64567514
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide
SMILESCN(CC1CCCOC1)CC(C(=O)NN)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-19(10-13-6-5-9-21-12-13)11-15(16(20)18-17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyFRACALISALGYDF-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.12
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

3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200
3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanenitrile
CID 64538378
N-cyclopropyl-2-[(3-hydrazinyl-3-oxo-2-phenylpropyl)-methylamino]acetamide
CID 64566681
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
3-[methyl(2-methylbutyl)amino]-2-phenylpropanehydrazide
CID 64567890
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide?
The IUPAC name of 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide (CID 64567514) is 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide.
What is the SMILES notation for 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide?
The canonical SMILES for 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide is CN(CC1CCCOC1)CC(C(=O)NN)c1ccccc1.
What is the InChIKey of 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide?
The InChIKey is FRACALISALGYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(10-13-6-5-9-21-12-13)11-15(16(20)18-17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3,(H,18,20).
What are the key properties of 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide?
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide has a molecular weight of 291.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanehydrazide is sourced from PubChem (CID 64567514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).