tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate

C20H39NO4 — CID 91709601

IUPACtetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C20H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-19(22)18-21(3)20(23)24-5-2/h4-18H2,1-3H3
InChIKeyZQQXJVMIFQCRLC-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.32
Rot. Bonds16

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

tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709601) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nametetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709601
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Nametetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C20H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-19(22)18-21(3)20(23)24-5-2/h4-18H2,1-3H3
InChIKeyZQQXJVMIFQCRLC-UHFFFAOYSA-N
XLogP5.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.32
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 tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709601) is tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC.
What is the InChIKey of tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is ZQQXJVMIFQCRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-19(22)18-21(3)20(23)24-5-2/h4-18H2,1-3H3.
What are the key properties of tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate has a molecular weight of 357.54 g/mol, XLogP of 5.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).