2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

C12H20N2O5 — CID 167060925

IUPAC2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCNC(=O)CC
InChIInChI=1S/C12H20N2O5/c1-4-10(15)13-5-8-19-12(17)14-6-7-18-11(16)9(2)3/h2,4-8H2,1,3H3,(H,13,15)(H,14,17)
InChIKeyWIFROOJTUNBJLS-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.36
Rot. Bonds8

About 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate

2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 167060925) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID167060925
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCNC(=O)CC
InChIInChI=1S/C12H20N2O5/c1-4-10(15)13-5-8-19-12(17)14-6-7-18-11(16)9(2)3/h2,4-8H2,1,3H3,(H,13,15)(H,14,17)
InChIKeyWIFROOJTUNBJLS-UHFFFAOYSA-N
XLogP0.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-[ethyl(methyl)amino]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174995899
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 123465925
2-[(2-ethyl-2-methyl-3-oxobutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 58965886
2-[2-(heptoxycarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 129193329
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate (CID 167060925) is 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCNC(=O)CC.
What is the InChIKey of 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is WIFROOJTUNBJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-4-10(15)13-5-8-19-12(17)14-6-7-18-11(16)9(2)3/h2,4-8H2,1,3H3,(H,13,15)(H,14,17).
What are the key properties of 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate?
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 167060925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).