ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate

C14H23NO4 — CID 59731850

IUPACethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate
SMILESCCOC(=O)N1CCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C14H23NO4/c1-2-17-12(16)15-9-3-4-13(15)5-7-14(8-6-13)18-10-11-19-14/h2-11H2,1H3
InChIKeyKRQUWLROFVDTAO-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.29
Rot. Bonds1

About ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate

ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate (PubChem CID 59731850) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate.

Molecular Properties

Compound Nameethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate
PubChem CID59731850
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate
SMILESCCOC(=O)N1CCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C14H23NO4/c1-2-17-12(16)15-9-3-4-13(15)5-7-14(8-6-13)18-10-11-19-14/h2-11H2,1H3
InChIKeyKRQUWLROFVDTAO-UHFFFAOYSA-N
XLogP2.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate?
The IUPAC name of ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate (CID 59731850) is ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate.
What is the SMILES notation for ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate?
The canonical SMILES for ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate is CCOC(=O)N1CCCC12CCC1(CC2)OCCO1.
What is the InChIKey of ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate?
The InChIKey is KRQUWLROFVDTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-17-12(16)15-9-3-4-13(15)5-7-14(8-6-13)18-10-11-19-14/h2-11H2,1H3.
What are the key properties of ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate?
ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-4-carboxylate is sourced from PubChem (CID 59731850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).