3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate

C14H21NO6 — CID 155928177

IUPAC3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C14H21NO6/c1-10(2)12(16)19-7-5-8-21-14(18)15-6-9-20-13(17)11(3)4/h1,3,5-9H2,2,4H3,(H,15,18)
InChIKeyFFLOROHZWLAYMI-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.34
Rot. Bonds9

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

3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate (PubChem CID 155928177) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate
PubChem CID155928177
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C14H21NO6/c1-10(2)12(16)19-7-5-8-21-14(18)15-6-9-20-13(17)11(3)4/h1,3,5-9H2,2,4H3,(H,15,18)
InChIKeyFFLOROHZWLAYMI-UHFFFAOYSA-N
XLogP1.34
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate (CID 155928177) is 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOC(=O)NCCOC(=O)C(=C)C.
What is the InChIKey of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate?
The InChIKey is FFLOROHZWLAYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO6/c1-10(2)12(16)19-7-5-8-21-14(18)15-6-9-20-13(17)11(3)4/h1,3,5-9H2,2,4H3,(H,15,18).
What are the key properties of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate?
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate has a molecular weight of 299.32 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 155928177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).