1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one

C19H27NO4 — CID 51095375

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1ccc(OCCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C19H27NO4/c1-15(2)16-3-5-17(6-4-16)22-12-7-18(21)20-10-8-19(9-11-20)23-13-14-24-19/h3-6,15H,7-14H2,1-2H3
InChIKeyVGMZPLYEDFGJDL-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.94
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one (PubChem CID 51095375) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one
PubChem CID51095375
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1ccc(OCCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C19H27NO4/c1-15(2)16-3-5-17(6-4-16)22-12-7-18(21)20-10-8-19(9-11-20)23-13-14-24-19/h3-6,15H,7-14H2,1-2H3
InChIKeyVGMZPLYEDFGJDL-UHFFFAOYSA-N
XLogP2.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one with MolForge

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
CID 112994209
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenoxy)ethyl]-3-oxopropanamide
CID 108949993
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112972396
(3S,4S)-4-methyl-1-[3-(4-propan-2-ylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 122112452
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119395608
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenoxy)propan-1-one
CID 80707475
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
N-[2-(4-ethoxyphenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112973164

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one (CID 51095375) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one is CC(C)c1ccc(OCCC(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one?
The InChIKey is VGMZPLYEDFGJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-15(2)16-3-5-17(6-4-16)22-12-7-18(21)20-10-8-19(9-11-20)23-13-14-24-19/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one has a molecular weight of 333.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 51095375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).