2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate

C23H36N2O6 — CID 154988874

IUPAC2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OCCN(CCN(CCOC(=O)C(C)(C)C)C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C23H36N2O6/c1-16(2)19(26)24(12-14-30-21(28)18(5)6)10-11-25(20(27)17(3)4)13-15-31-22(29)23(7,8)9/h1,3,5,10-15H2,2,4,6-9H3
InChIKeyGLDBZILYFWQGCH-UHFFFAOYSA-N
MW436.55 g/mol
LogP2.50
Rot. Bonds12

About 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate

2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate (PubChem CID 154988874) has the molecular formula C23H36N2O6 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate
PubChem CID154988874
Molecular FormulaC23H36N2O6
Molecular Weight436.55 g/mol
Exact Mass436.26
IUPAC Name2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate
SMILESC=C(C)C(=O)OCCN(CCN(CCOC(=O)C(C)(C)C)C(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C23H36N2O6/c1-16(2)19(26)24(12-14-30-21(28)18(5)6)10-11-25(20(27)17(3)4)13-15-31-22(29)23(7,8)9/h1,3,5,10-15H2,2,4,6-9H3
InChIKeyGLDBZILYFWQGCH-UHFFFAOYSA-N
XLogP2.50
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2,2-dimethylpropanoate
CID 138744841
2-[hydroxymethyl-[hydroxymethyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 139748456
2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate
CID 139748452
2-(2-methylprop-2-enoyloxy)ethyl 2-chloro-2-methylpropanoate
CID 20815885
3-[3,5-bis[3-(2-methylprop-2-enoyloxy)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl 2,2-dimethylpropanoate
CID 146653245
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate (CID 154988874) is 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate is C=C(C)C(=O)OCCN(CCN(CCOC(=O)C(C)(C)C)C(=O)C(=C)C)C(=O)C(=C)C.
What is the InChIKey of 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate?
The InChIKey is GLDBZILYFWQGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O6/c1-16(2)19(26)24(12-14-30-21(28)18(5)6)10-11-25(20(27)17(3)4)13-15-31-22(29)23(7,8)9/h1,3,5,10-15H2,2,4,6-9H3.
What are the key properties of 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate?
2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate has a molecular weight of 436.55 g/mol, XLogP of 2.50, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 154988874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).