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

C15H23N3O2 — CID 63707200

IUPAC2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
SMILESCN(CC1CCCOC1)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(10-12-6-5-9-20-11-12)14(15(19)17-16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeyUGWCOILGHNCWCI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.08
Rot. Bonds5

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

2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide (PubChem CID 63707200) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
PubChem CID63707200
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
SMILESCN(CC1CCCOC1)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(10-12-6-5-9-20-11-12)14(15(19)17-16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeyUGWCOILGHNCWCI-UHFFFAOYSA-N
XLogP1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.08
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-phenylpropanehydrazide
CID 64567514
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
CID 63727332
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
2-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylacetohydrazide
CID 55214441
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 63713122
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide?
The IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide (CID 63707200) is 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide.
What is the SMILES notation for 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide?
The canonical SMILES for 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide is CN(CC1CCCOC1)C(C(=O)NN)c1ccccc1.
What is the InChIKey of 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide?
The InChIKey is UGWCOILGHNCWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(10-12-6-5-9-20-11-12)14(15(19)17-16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide?
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide has a molecular weight of 277.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide is sourced from PubChem (CID 63707200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).