dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate

C18H35NO4 — CID 91709600

IUPACdodecyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C18H35NO4/c1-4-6-7-8-9-10-11-12-13-14-15-23-17(20)16-19(3)18(21)22-5-2/h4-16H2,1-3H3
InChIKeyHNYRVLZCQVCGIY-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.54
Rot. Bonds14

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

dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709600) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namedodecyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709600
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namedodecyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C18H35NO4/c1-4-6-7-8-9-10-11-12-13-14-15-23-17(20)16-19(3)18(21)22-5-2/h4-16H2,1-3H3
InChIKeyHNYRVLZCQVCGIY-UHFFFAOYSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.54
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 dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709600) is dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCCCCCCCCCCCOC(=O)CN(C)C(=O)OCC.
What is the InChIKey of dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is HNYRVLZCQVCGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-4-6-7-8-9-10-11-12-13-14-15-23-17(20)16-19(3)18(21)22-5-2/h4-16H2,1-3H3.
What are the key properties of dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate?
dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate has a molecular weight of 329.48 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).