undecyl 2-[ethoxycarbonyl(methyl)amino]acetate

C17H33NO4 — CID 91709599

IUPACundecyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C17H33NO4/c1-4-6-7-8-9-10-11-12-13-14-22-16(19)15-18(3)17(20)21-5-2/h4-15H2,1-3H3
InChIKeyNEGSXDGHXWZHDD-UHFFFAOYSA-N
MW315.45 g/mol
LogP4.15
Rot. Bonds13

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

undecyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709599) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is undecyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameundecyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709599
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Nameundecyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C17H33NO4/c1-4-6-7-8-9-10-11-12-13-14-22-16(19)15-18(3)17(20)21-5-2/h4-15H2,1-3H3
InChIKeyNEGSXDGHXWZHDD-UHFFFAOYSA-N
XLogP4.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of undecyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709599) is undecyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for undecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for undecyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCCCCCCCCCCOC(=O)CN(C)C(=O)OCC.
What is the InChIKey of undecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is NEGSXDGHXWZHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-4-6-7-8-9-10-11-12-13-14-22-16(19)15-18(3)17(20)21-5-2/h4-15H2,1-3H3.
What are the key properties of undecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
undecyl 2-[ethoxycarbonyl(methyl)amino]acetate has a molecular weight of 315.45 g/mol, XLogP of 4.15, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).