2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

C25H38N2O6 — CID 102082224

IUPAC2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(ON1C(C)(C)CC(OC)CC1(C)C)c1ccccc1
InChIInChI=1S/C25H38N2O6/c1-18(2)22(28)31-14-13-26-23(29)32-17-21(19-11-9-8-10-12-19)33-27-24(3,4)15-20(30-7)16-25(27,5)6/h8-12,20-21H,1,13-17H2,2-7H3,(H,26,29)
InChIKeyKAYQTKSWEYHIKF-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.17
Rot. Bonds10

About 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate

2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 102082224) has the molecular formula C25H38N2O6 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID102082224
Molecular FormulaC25H38N2O6
Molecular Weight462.59 g/mol
Exact Mass462.27
IUPAC Name2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(ON1C(C)(C)CC(OC)CC1(C)C)c1ccccc1
InChIInChI=1S/C25H38N2O6/c1-18(2)22(28)31-14-13-26-23(29)32-17-21(19-11-9-8-10-12-19)33-27-24(3,4)15-20(30-7)16-25(27,5)6/h8-12,20-21H,1,13-17H2,2-7H3,(H,26,29)
InChIKeyKAYQTKSWEYHIKF-UHFFFAOYSA-N
XLogP4.17
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
CID 139895200
2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 102076658
4-[1-(2-dodecanoyloxy-1-phenylethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
CID 139948137
2-[[4-[[4-[bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenyl]-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 90224731
3-benzhydrylsilylpropyl 2-methylprop-2-enoate
CID 152767258
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 20816556
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
1,4-dimethoxy-2,2,6,6-tetramethylpiperidine;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] benzoate
CID 158307203
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
[2-(2-methylprop-2-enylperoxy)-2-phenylethyl] 2-methylprop-2-enoate
CID 89014344

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate (CID 102082224) is 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCC(ON1C(C)(C)CC(OC)CC1(C)C)c1ccccc1.
What is the InChIKey of 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is KAYQTKSWEYHIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O6/c1-18(2)22(28)31-14-13-26-23(29)32-17-21(19-11-9-8-10-12-19)33-27-24(3,4)15-20(30-7)16-25(27,5)6/h8-12,20-21H,1,13-17H2,2-7H3,(H,26,29).
What are the key properties of 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 462.59 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylethoxy]carbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 102082224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).