1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate

C13H20N2O5 — CID 130466355

IUPAC1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(C)OC(=O)C(=C)C
InChIInChI=1S/C13H20N2O5/c1-5-11(16)19-7-6-14-13(18)15-8-10(4)20-12(17)9(2)3/h5,10H,1-2,6-8H2,3-4H3,(H2,14,15,18)
InChIKeyOAUJFLHANQCWAE-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.52
Rot. Bonds8

About 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate

1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate (PubChem CID 130466355) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate
PubChem CID130466355
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(C)OC(=O)C(=C)C
InChIInChI=1S/C13H20N2O5/c1-5-11(16)19-7-6-14-13(18)15-8-10(4)20-12(17)9(2)3/h5,10H,1-2,6-8H2,3-4H3,(H2,14,15,18)
InChIKeyOAUJFLHANQCWAE-UHFFFAOYSA-N
XLogP0.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.52
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

2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
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
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium
CID 123873336
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
1,3-bis(2-methylprop-2-enoyloxy)propan-2-yl 2-methyl-3-oxo-3-(3-prop-2-enoyloxypropylamino)propanoate
CID 88955036
2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate
CID 146561836
1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
CID 57217151

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate (CID 130466355) is 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate is C=CC(=O)OCCNC(=O)NCC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is OAUJFLHANQCWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-5-11(16)19-7-6-14-13(18)15-8-10(4)20-12(17)9(2)3/h5,10H,1-2,6-8H2,3-4H3,(H2,14,15,18).
What are the key properties of 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate?
1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoyloxyethylcarbamoylamino)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 130466355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).