3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate

C19H27NO6 — CID 90844099

IUPAC3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate
SMILESCCOC(=O)CC.COc1ccc(C2=NOC3(CCOC3)C2)cc1OC
InChIInChI=1S/C14H17NO4.C5H10O2/c1-16-12-4-3-10(7-13(12)17-2)11-8-14(19-15-11)5-6-18-9-14;1-3-5(6)7-4-2/h3-4,7H,5-6,8-9H2,1-2H3;3-4H2,1-2H3
InChIKeyALEOZZXFQUWMNV-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.95
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate

3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate (PubChem CID 90844099) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate
PubChem CID90844099
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate
SMILESCCOC(=O)CC.COc1ccc(C2=NOC3(CCOC3)C2)cc1OC
InChIInChI=1S/C14H17NO4.C5H10O2/c1-16-12-4-3-10(7-13(12)17-2)11-8-14(19-15-11)5-6-18-9-14;1-3-5(6)7-4-2/h3-4,7H,5-6,8-9H2,1-2H3;3-4H2,1-2H3
InChIKeyALEOZZXFQUWMNV-UHFFFAOYSA-N
XLogP2.95
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate (CID 90844099) is 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate is CCOC(=O)CC.COc1ccc(C2=NOC3(CCOC3)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate?
The InChIKey is ALEOZZXFQUWMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4.C5H10O2/c1-16-12-4-3-10(7-13(12)17-2)11-8-14(19-15-11)5-6-18-9-14;1-3-5(6)7-4-2/h3-4,7H,5-6,8-9H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate?
3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate has a molecular weight of 365.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate is sourced from PubChem (CID 90844099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).