ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate

C21H33N3O6 — CID 74809841

IUPACethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1CC1CNNC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H33N3O6/c1-5-30-19(25)10-16-13-29-7-6-24(16)12-15-11-22-23-20(15)14-8-17(26-2)21(28-4)18(9-14)27-3/h8-9,15-16,20,22-23H,5-7,10-13H2,1-4H3
InChIKeySUWRDWDVJTWRDL-UHFFFAOYSA-N
MW423.51 g/mol
LogP1.13
Rot. Bonds9

About ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate

ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate (PubChem CID 74809841) has the molecular formula C21H33N3O6 and a molecular weight of 423.51 g/mol. Its IUPAC name is ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate
PubChem CID74809841
Molecular FormulaC21H33N3O6
Molecular Weight423.51 g/mol
Exact Mass423.24
IUPAC Nameethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1CC1CNNC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H33N3O6/c1-5-30-19(25)10-16-13-29-7-6-24(16)12-15-11-22-23-20(15)14-8-17(26-2)21(28-4)18(9-14)27-3/h8-9,15-16,20,22-23H,5-7,10-13H2,1-4H3
InChIKeySUWRDWDVJTWRDL-UHFFFAOYSA-N
XLogP1.13
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate (CID 74809841) is ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1CC1CNNC1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate?
The InChIKey is SUWRDWDVJTWRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6/c1-5-30-19(25)10-16-13-29-7-6-24(16)12-15-11-22-23-20(15)14-8-17(26-2)21(28-4)18(9-14)27-3/h8-9,15-16,20,22-23H,5-7,10-13H2,1-4H3.
What are the key properties of ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate?
ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate has a molecular weight of 423.51 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]morpholin-3-yl]acetate is sourced from PubChem (CID 74809841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).