ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate

C13H24N2O5 — CID 83100533

IUPACethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate
SMILESCCNC(=O)C1COCCN1CCOCC(=O)OCC
InChIInChI=1S/C13H24N2O5/c1-3-14-13(17)11-9-18-7-5-15(11)6-8-19-10-12(16)20-4-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyBNQSMUYPAAYHDP-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.60
Rot. Bonds8

About ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate

ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate (PubChem CID 83100533) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate
PubChem CID83100533
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nameethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate
SMILESCCNC(=O)C1COCCN1CCOCC(=O)OCC
InChIInChI=1S/C13H24N2O5/c1-3-14-13(17)11-9-18-7-5-15(11)6-8-19-10-12(16)20-4-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyBNQSMUYPAAYHDP-UHFFFAOYSA-N
XLogP-0.60
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate (CID 83100533) is ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate is CCNC(=O)C1COCCN1CCOCC(=O)OCC.
What is the InChIKey of ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate?
The InChIKey is BNQSMUYPAAYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-3-14-13(17)11-9-18-7-5-15(11)6-8-19-10-12(16)20-4-2/h11H,3-10H2,1-2H3,(H,14,17).
What are the key properties of ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate?
ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate has a molecular weight of 288.34 g/mol, XLogP of -0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(ethylcarbamoyl)morpholin-4-yl]ethoxy]acetate is sourced from PubChem (CID 83100533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).