[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate

C20H29NO8 — CID 134452927

IUPAC[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)NCC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C20H29NO8/c1-8-21-19(25)29-12-20(9-26-16(22)13(2)3,10-27-17(23)14(4)5)11-28-18(24)15(6)7/h2,4,6,8-12H2,1,3,5,7H3,(H,21,25)
InChIKeySHLODGDCFPGCDY-UHFFFAOYSA-N
MW411.45 g/mol
LogP2.08
Rot. Bonds12

About [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate

[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate (PubChem CID 134452927) has the molecular formula C20H29NO8 and a molecular weight of 411.45 g/mol. Its IUPAC name is [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
PubChem CID134452927
Molecular FormulaC20H29NO8
Molecular Weight411.45 g/mol
Exact Mass411.19
IUPAC Name[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)NCC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C20H29NO8/c1-8-21-19(25)29-12-20(9-26-16(22)13(2)3,10-27-17(23)14(4)5)11-28-18(24)15(6)7/h2,4,6,8-12H2,1,3,5,7H3,(H,21,25)
InChIKeySHLODGDCFPGCDY-UHFFFAOYSA-N
XLogP2.08
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174897902
ethylcarbamoyl 2-methylprop-2-eneperoxoate
CID 87088549
2-[(2-ethyl-2-methyl-3-oxobutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 58965886
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile
CID 87662194
4-O-[2-[(4-methoxy-4-oxobutanoyl)oxymethyl]-3-(2-methylprop-2-enoyloxy)-2-[[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propoxy]methyl]propyl] 1-O-methyl butanedioate
CID 59248502
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[2-(hydroxymethyl)-2-(methoxymethyl)butyl] 2-methylprop-2-enoate
CID 87795028
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276
[2-(carbamoyloxymethyl)-2-(methylcarbamoyloxymethyl)-3-(propan-2-ylcarbamoyloxy)propyl] N-ethylcarbamate
CID 145215020
2,2-bis(hydroxymethyl)propane-1,3-diol;[2,2-bis(hydroxymethyl)-3-propoxypropyl] 2-methylprop-2-enoate;tetrakis(2-methylprop-2-enoic acid)
CID 172699424

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate (CID 134452927) is [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC(=O)NCC)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
The InChIKey is SHLODGDCFPGCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO8/c1-8-21-19(25)29-12-20(9-26-16(22)13(2)3,10-27-17(23)14(4)5)11-28-18(24)15(6)7/h2,4,6,8-12H2,1,3,5,7H3,(H,21,25).
What are the key properties of [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate?
[2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate has a molecular weight of 411.45 g/mol, XLogP of 2.08, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoyloxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 134452927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).