N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide

C21H30N2O2 — CID 155983948

IUPACN-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(C(C)=O)C1CN(C(=O)Cc2ccccc2)C2(CCCCC2)C1
InChIInChI=1S/C21H30N2O2/c1-3-22(17(2)24)19-15-21(12-8-5-9-13-21)23(16-19)20(25)14-18-10-6-4-7-11-18/h4,6-7,10-11,19H,3,5,8-9,12-16H2,1-2H3
InChIKeyFLLRBGBBMNVURT-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.40
Rot. Bonds4

About N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide

N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide (PubChem CID 155983948) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide
PubChem CID155983948
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(C(C)=O)C1CN(C(=O)Cc2ccccc2)C2(CCCCC2)C1
InChIInChI=1S/C21H30N2O2/c1-3-22(17(2)24)19-15-21(12-8-5-9-13-21)23(16-19)20(25)14-18-10-6-4-7-11-18/h4,6-7,10-11,19H,3,5,8-9,12-16H2,1-2H3
InChIKeyFLLRBGBBMNVURT-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide (CID 155983948) is N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide is CCN(C(C)=O)C1CN(C(=O)Cc2ccccc2)C2(CCCCC2)C1.
What is the InChIKey of N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is FLLRBGBBMNVURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-22(17(2)24)19-15-21(12-8-5-9-13-21)23(16-19)20(25)14-18-10-6-4-7-11-18/h4,6-7,10-11,19H,3,5,8-9,12-16H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide?
N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 155983948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).