ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate

C17H33NO8 — CID 11682358

IUPACethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO8/c1-5-25-15(19)14-24-13-12-23-11-10-22-9-8-21-7-6-18-16(20)26-17(2,3)4/h5-14H2,1-4H3,(H,18,20)
InChIKeyNQVSUKOUJNIYLC-UHFFFAOYSA-N
MW379.45 g/mol
LogP1.14
Rot. Bonds15

About ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate

ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 11682358) has the molecular formula C17H33NO8 and a molecular weight of 379.45 g/mol. Its IUPAC name is ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
PubChem CID11682358
Molecular FormulaC17H33NO8
Molecular Weight379.45 g/mol
Exact Mass379.22
IUPAC Nameethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO8/c1-5-25-15(19)14-24-13-12-23-11-10-22-9-8-21-7-6-18-16(20)26-17(2,3)4/h5-14H2,1-4H3,(H,18,20)
InChIKeyNQVSUKOUJNIYLC-UHFFFAOYSA-N
XLogP1.14
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 11682358) is ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate is CCOC(=O)COCCOCCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is NQVSUKOUJNIYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO8/c1-5-25-15(19)14-24-13-12-23-11-10-22-9-8-21-7-6-18-16(20)26-17(2,3)4/h5-14H2,1-4H3,(H,18,20).
What are the key properties of ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 379.45 g/mol, XLogP of 1.14, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 11682358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).