N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide

C21H37N3O3 — CID 56710221

IUPACN-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C2CCC3(CC2)CCN(C(=O)COC)CC3)C1
InChIInChI=1S/C21H37N3O3/c1-4-24(17(2)25)19-7-12-23(15-19)18-5-8-21(9-6-18)10-13-22(14-11-21)20(26)16-27-3/h18-19H,4-16H2,1-3H3
InChIKeyYTWVGZSWFYTKDZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.13
Rot. Bonds5

About N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide

N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide (PubChem CID 56710221) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide
PubChem CID56710221
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C2CCC3(CC2)CCN(C(=O)COC)CC3)C1
InChIInChI=1S/C21H37N3O3/c1-4-24(17(2)25)19-7-12-23(15-19)18-5-8-21(9-6-18)10-13-22(14-11-21)20(26)16-27-3/h18-19H,4-16H2,1-3H3
InChIKeyYTWVGZSWFYTKDZ-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide (CID 56710221) is N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide is CCN(C(C)=O)C1CCN(C2CCC3(CC2)CCN(C(=O)COC)CC3)C1.
What is the InChIKey of N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is YTWVGZSWFYTKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-4-24(17(2)25)19-7-12-23(15-19)18-5-8-21(9-6-18)10-13-22(14-11-21)20(26)16-27-3/h18-19H,4-16H2,1-3H3.
What are the key properties of N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide?
N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 379.55 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[3-(2-methoxyacetyl)-3-azaspiro[5.5]undecan-9-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 56710221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).