(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone

C21H23NO4 — CID 90537313

IUPAC(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)c1ccccc1Oc1ccccc1)C2
InChIInChI=1S/C21H23NO4/c1-20(2)24-14-21(15-25-20)12-22(13-21)19(23)17-10-6-7-11-18(17)26-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyAKHIUEKZAQZBGS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.70
Rot. Bonds3

About (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone

(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone (PubChem CID 90537313) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
PubChem CID90537313
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)c1ccccc1Oc1ccccc1)C2
InChIInChI=1S/C21H23NO4/c1-20(2)24-14-21(15-25-20)12-22(13-21)19(23)17-10-6-7-11-18(17)26-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyAKHIUEKZAQZBGS-UHFFFAOYSA-N
XLogP3.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone with MolForge

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Related Compounds

(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
CID 70716556
(2,3-dimethoxyphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 90537355
3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
CID 91784088
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
(2-phenoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18284551
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone?
The IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone (CID 90537313) is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone.
What is the SMILES notation for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone?
The canonical SMILES for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone is CC1(C)OCC2(CO1)CN(C(=O)c1ccccc1Oc1ccccc1)C2.
What is the InChIKey of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone?
The InChIKey is AKHIUEKZAQZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-20(2)24-14-21(15-25-20)12-22(13-21)19(23)17-10-6-7-11-18(17)26-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3.
What are the key properties of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone?
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone has a molecular weight of 353.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 90537313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).