undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

C20H38N2O5 — CID 91709615

IUPACundecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC
InChIInChI=1S/C20H38N2O5/c1-5-7-8-9-10-11-12-13-14-15-27-19(24)17-21(3)18(23)16-22(4)20(25)26-6-2/h5-17H2,1-4H3
InChIKeyOLBIFYLEHMTUHS-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.61
Rot. Bonds15

About undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 91709615) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Nameundecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID91709615
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Nameundecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC
InChIInChI=1S/C20H38N2O5/c1-5-7-8-9-10-11-12-13-14-15-27-19(24)17-21(3)18(23)16-22(4)20(25)26-6-2/h5-17H2,1-4H3
InChIKeyOLBIFYLEHMTUHS-UHFFFAOYSA-N
XLogP3.61
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (CID 91709615) is undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is CCCCCCCCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC.
What is the InChIKey of undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is OLBIFYLEHMTUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O5/c1-5-7-8-9-10-11-12-13-14-15-27-19(24)17-21(3)18(23)16-22(4)20(25)26-6-2/h5-17H2,1-4H3.
What are the key properties of undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 386.53 g/mol, XLogP of 3.61, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 91709615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).