2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone

C21H32N2O2 — CID 164639441

IUPAC2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCN(C)CC(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C21H32N2O2/c1-22(2)14-20(24)23-17-21(11-7-4-8-12-21)13-19(23)16-25-15-18-9-5-3-6-10-18/h3,5-6,9-10,19H,4,7-8,11-17H2,1-2H3/t19-/m1/s1
InChIKeyFOXQSMIBYHDCRY-LJQANCHMSA-N
MW344.50 g/mol
LogP3.32
Rot. Bonds6

About 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone

2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 164639441) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID164639441
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESCN(C)CC(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C21H32N2O2/c1-22(2)14-20(24)23-17-21(11-7-4-8-12-21)13-19(23)16-25-15-18-9-5-3-6-10-18/h3,5-6,9-10,19H,4,7-8,11-17H2,1-2H3/t19-/m1/s1
InChIKeyFOXQSMIBYHDCRY-LJQANCHMSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone (CID 164639441) is 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone is CN(C)CC(=O)N1CC2(CCCCC2)C[C@@H]1COCc1ccccc1.
What is the InChIKey of 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is FOXQSMIBYHDCRY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-22(2)14-20(24)23-17-21(11-7-4-8-12-21)13-19(23)16-25-15-18-9-5-3-6-10-18/h3,5-6,9-10,19H,4,7-8,11-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 344.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(3R)-3-(phenylmethoxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 164639441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).