1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone

C20H30N2O3 — CID 91653989

IUPAC1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C20H30N2O3/c1-21(2)13-17-14-22(15-20(17)8-10-25-11-9-20)19(23)12-16-6-4-5-7-18(16)24-3/h4-7,17H,8-15H2,1-3H3
InChIKeyDJLRPRWTALJDGX-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone

1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 91653989) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID91653989
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(CN(C)C)C2(CCOCC2)C1
InChIInChI=1S/C20H30N2O3/c1-21(2)13-17-14-22(15-20(17)8-10-25-11-9-20)19(23)12-16-6-4-5-7-18(16)24-3/h4-7,17H,8-15H2,1-3H3
InChIKeyDJLRPRWTALJDGX-UHFFFAOYSA-N
XLogP2.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone (CID 91653989) is 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CC(CN(C)C)C2(CCOCC2)C1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is DJLRPRWTALJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(2)13-17-14-22(15-20(17)8-10-25-11-9-20)19(23)12-16-6-4-5-7-18(16)24-3/h4-7,17H,8-15H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone?
1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 91653989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).