2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate

C22H40N4O6Si — CID 158258560

IUPAC2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCC[Si](C)(C)CCCNC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C22H40N4O6Si/c1-17(2)19(27)31-13-11-25-21(29)23-9-7-15-33(5,6)16-8-10-24-22(30)26-12-14-32-20(28)18(3)4/h1,3,7-16H2,2,4-6H3,(H2,23,25,29)(H2,24,26,30)
InChIKeyAXAYPSRNFYINHZ-UHFFFAOYSA-N
MW484.67 g/mol
LogP2.31
Rot. Bonds16

About 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate

2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 158258560) has the molecular formula C22H40N4O6Si and a molecular weight of 484.67 g/mol. Its IUPAC name is 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID158258560
Molecular FormulaC22H40N4O6Si
Molecular Weight484.67 g/mol
Exact Mass484.27
IUPAC Name2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCC[Si](C)(C)CCCNC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C22H40N4O6Si/c1-17(2)19(27)31-13-11-25-21(29)23-9-7-15-33(5,6)16-8-10-24-22(30)26-12-14-32-20(28)18(3)4/h1,3,7-16H2,2,4-6H3,(H2,23,25,29)(H2,24,26,30)
InChIKeyAXAYPSRNFYINHZ-UHFFFAOYSA-N
XLogP2.31
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[17-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]-4-oxoheptadecyl] 2-methylprop-2-enoate
CID 161284474
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
CID 169159810
3-[dimethyl(propyl)silyl]propyl 2-methylprop-2-enoate
CID 139977940
2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 174905152
3-[2-[methoxy(dimethyl)silyl]ethyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140912977
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 66827300
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 139645621
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate (CID 158258560) is 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCCC[Si](C)(C)CCCNC(=O)NCCOC(=O)C(=C)C.
What is the InChIKey of 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is AXAYPSRNFYINHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O6Si/c1-17(2)19(27)31-13-11-25-21(29)23-9-7-15-33(5,6)16-8-10-24-22(30)26-12-14-32-20(28)18(3)4/h1,3,7-16H2,2,4-6H3,(H2,23,25,29)(H2,24,26,30).
What are the key properties of 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate?
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 484.67 g/mol, XLogP of 2.31, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158258560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).