2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate

C13H22N2O6 — CID 20659228

IUPAC2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NC(C)C(=O)OC(C)OC
InChIInChI=1S/C13H22N2O6/c1-8(2)11(16)20-7-6-14-13(18)15-9(3)12(17)21-10(4)19-5/h9-10H,1,6-7H2,2-5H3,(H2,14,15,18)
InChIKeyHZDCIPCGBFEANJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.33
Rot. Bonds8

About 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 20659228) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID20659228
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NC(C)C(=O)OC(C)OC
InChIInChI=1S/C13H22N2O6/c1-8(2)11(16)20-7-6-14-13(18)15-9(3)12(17)21-10(4)19-5/h9-10H,1,6-7H2,2-5H3,(H2,14,15,18)
InChIKeyHZDCIPCGBFEANJ-UHFFFAOYSA-N
XLogP0.33
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 20659228) is 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NC(C)C(=O)OC(C)OC.
What is the InChIKey of 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is HZDCIPCGBFEANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-8(2)11(16)20-7-6-14-13(18)15-9(3)12(17)21-10(4)19-5/h9-10H,1,6-7H2,2-5H3,(H2,14,15,18).
What are the key properties of 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 302.33 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20659228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).