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

C19H28N2O3 — CID 87053386

IUPAC1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone
SMILESCN(C)CC1CN(C(=O)COc2ccccc2)CC12CCOCC2
InChIInChI=1S/C19H28N2O3/c1-20(2)12-16-13-21(15-19(16)8-10-23-11-9-19)18(22)14-24-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyACQGYKFCRIYZIN-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.88
Rot. Bonds5

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

1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone (PubChem CID 87053386) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone
PubChem CID87053386
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone
SMILESCN(C)CC1CN(C(=O)COc2ccccc2)CC12CCOCC2
InChIInChI=1S/C19H28N2O3/c1-20(2)12-16-13-21(15-19(16)8-10-23-11-9-19)18(22)14-24-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyACQGYKFCRIYZIN-UHFFFAOYSA-N
XLogP1.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.88
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-phenoxyethanone?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone (CID 87053386) is 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone is CN(C)CC1CN(C(=O)COc2ccccc2)CC12CCOCC2.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone?
The InChIKey is ACQGYKFCRIYZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20(2)12-16-13-21(15-19(16)8-10-23-11-9-19)18(22)14-24-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone?
1-[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-phenoxyethanone has a molecular weight of 332.44 g/mol, XLogP of 1.88, 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-phenoxyethanone is sourced from PubChem (CID 87053386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).