ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate

C16H30N2O6 — CID 762955

IUPACethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate
SMILESCCOC(=O)CN1CCOCCN(CC(=O)OCC)CCOCC1
InChIInChI=1S/C16H30N2O6/c1-3-23-15(19)13-17-5-9-21-11-7-18(8-12-22-10-6-17)14-16(20)24-4-2/h3-14H2,1-2H3
InChIKeyWAZKGEQZEWOVPR-UHFFFAOYSA-N
MW346.42 g/mol
LogP-0.24
Rot. Bonds6

About ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate

ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate (PubChem CID 762955) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate
PubChem CID762955
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Nameethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate
SMILESCCOC(=O)CN1CCOCCN(CC(=O)OCC)CCOCC1
InChIInChI=1S/C16H30N2O6/c1-3-23-15(19)13-17-5-9-21-11-7-18(8-12-22-10-6-17)14-16(20)24-4-2/h3-14H2,1-2H3
InChIKeyWAZKGEQZEWOVPR-UHFFFAOYSA-N
XLogP-0.24
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate?
The IUPAC name of ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate (CID 762955) is ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate.
What is the SMILES notation for ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate?
The canonical SMILES for ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate is CCOC(=O)CN1CCOCCN(CC(=O)OCC)CCOCC1.
What is the InChIKey of ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate?
The InChIKey is WAZKGEQZEWOVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-3-23-15(19)13-17-5-9-21-11-7-18(8-12-22-10-6-17)14-16(20)24-4-2/h3-14H2,1-2H3.
What are the key properties of ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate?
ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate has a molecular weight of 346.42 g/mol, XLogP of -0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate is sourced from PubChem (CID 762955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).