tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)

C93H168N6O36 — CID 160716553

IUPACtris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)
SMILESC=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC
InChIInChI=1S/3C16H29NO6.3C15H27NO6/c3*1-5-8-20-11-14(12-21-9-6-2)23-16(19)17-7-10-22-15(18)13(3)4;3*1-4-8-19-11-13(12-20-9-5-2)22-15(18)16-7-10-21-14(17)6-3/h3*14H,3,5-12H2,1-2,4H3,(H,17,19);3*6,13H,3-5,7-12H2,1-2H3,(H,16,18)
InChIKeyRSNUPKCGSSINGT-UHFFFAOYSA-N
MW1946.37 g/mol
LogP11.15
Rot. Bonds78

About tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)

tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate) (PubChem CID 160716553) has the molecular formula C93H168N6O36 and a molecular weight of 1946.37 g/mol. Its IUPAC name is tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate).

Molecular Properties

Compound Nametris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)
PubChem CID160716553
Molecular FormulaC93H168N6O36
Molecular Weight1946.37 g/mol
Exact Mass1945.15
IUPAC Nametris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)
SMILESC=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC
InChIInChI=1S/3C16H29NO6.3C15H27NO6/c3*1-5-8-20-11-14(12-21-9-6-2)23-16(19)17-7-10-22-15(18)13(3)4;3*1-4-8-19-11-13(12-20-9-5-2)22-15(18)16-7-10-21-14(17)6-3/h3*14H,3,5-12H2,1-2,4H3,(H,17,19);3*6,13H,3-5,7-12H2,1-2H3,(H,16,18)
InChIKeyRSNUPKCGSSINGT-UHFFFAOYSA-N
XLogP11.15
TPSA498.54 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds78
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001946.37
LogP ≤ 511.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate) with MolForge

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Related Compounds

2-[[1-(2-fluoroethoxy)-3-(fluoromethoxy)propan-2-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 88857837
butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 159107941
[3-[4-(3-acetyloxy-2-hydroxypropoxy)butoxy]-2-(butylcarbamoyloxy)propyl] prop-2-enoate
CID 123668303
2-[1-(methylamino)pentan-2-yloxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 165000020
2-[[1-(2-methylbutoxy)-3-sulfooxypropan-2-yl]oxycarbonylamino]ethyl prop-2-enoate
CID 58252686
dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium
CID 123873336
2-[[1-(2-methylbutoxy)-3-sulfinooxypropan-2-yl]oxycarbonylamino]ethyl prop-2-enoate
CID 58502698
[2-[6-[3-[6-[[1-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxypropan-2-yl]oxycarbonylamino]hexyl]-2,4,6-trioxo-5-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]hexyl]-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]-3-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
CID 126493099
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
potassium [3-(2-methylbutoxy)-2-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl] sulfite
CID 58502697
butyl 2-methylprop-2-enoate;2-ethylbutyl prop-2-enoate
CID 88771560

Frequently Asked Questions

What is the IUPAC name of tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)?
The IUPAC name of tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate) (CID 160716553) is tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate).
What is the SMILES notation for tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)?
The canonical SMILES for tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate) is C=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=C(C)C(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC.C=CC(=O)OCCNC(=O)OC(COCCC)COCCC.
What is the InChIKey of tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)?
The InChIKey is RSNUPKCGSSINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H29NO6.3C15H27NO6/c3*1-5-8-20-11-14(12-21-9-6-2)23-16(19)17-7-10-22-15(18)13(3)4;3*1-4-8-19-11-13(12-20-9-5-2)22-15(18)16-7-10-21-14(17)6-3/h3*14H,3,5-12H2,1-2,4H3,(H,17,19);3*6,13H,3-5,7-12H2,1-2H3,(H,16,18).
What are the key properties of tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)?
tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate) has a molecular weight of 1946.37 g/mol, XLogP of 11.15, 78 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate) is sourced from PubChem (CID 160716553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).