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

C17H24N2O3 — CID 90537444

IUPAC[4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-16(2)21-11-17(12-22-16)9-19(10-17)15(20)13-5-7-14(8-6-13)18(3)4/h5-8H,9-12H2,1-4H3
InChIKeyIPEYXCSOXCPUOZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.98
Rot. Bonds2

About [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone

[4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 90537444) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID90537444
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-16(2)21-11-17(12-22-16)9-19(10-17)15(20)13-5-7-14(8-6-13)18(3)4/h5-8H,9-12H2,1-4H3
InChIKeyIPEYXCSOXCPUOZ-UHFFFAOYSA-N
XLogP1.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone with MolForge

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Related Compounds

(4-tert-butylphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 71789560
methyl 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)benzoate
CID 71789547
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 71789520
[3,5-bis(trifluoromethyl)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 90537381
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one
CID 71789538
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
CID 170975673
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 95379666
[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 11515524
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
CID 90537313

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 90537444) is [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone is CN(C)c1ccc(C(=O)N2CC3(COC(C)(C)OC3)C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is IPEYXCSOXCPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-16(2)21-11-17(12-22-16)9-19(10-17)15(20)13-5-7-14(8-6-13)18(3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone?
[4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 90537444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).