ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate

C13H25NO6 — CID 23856432

IUPACethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
SMILESCCOC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C13H25NO6/c1-2-20-13(15)14-3-5-16-7-9-18-11-12-19-10-8-17-6-4-14/h2-12H2,1H3
InChIKeyAYEBPRWQPPGKMY-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.52
Rot. Bonds1

About ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate

ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate (PubChem CID 23856432) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate.

Molecular Properties

Compound Nameethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
PubChem CID23856432
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Nameethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate
SMILESCCOC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C13H25NO6/c1-2-20-13(15)14-3-5-16-7-9-18-11-12-19-10-8-17-6-4-14/h2-12H2,1H3
InChIKeyAYEBPRWQPPGKMY-UHFFFAOYSA-N
XLogP0.52
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
The IUPAC name of ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate (CID 23856432) is ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate.
What is the SMILES notation for ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
The canonical SMILES for ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate is CCOC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
The InChIKey is AYEBPRWQPPGKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-2-20-13(15)14-3-5-16-7-9-18-11-12-19-10-8-17-6-4-14/h2-12H2,1H3.
What are the key properties of ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate?
ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate has a molecular weight of 291.34 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carboxylate is sourced from PubChem (CID 23856432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).