1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone

C17H23NO3 — CID 6464965

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)c1
InChIInChI=1S/C17H23NO3/c1-12-10-13(2)15(14(3)11-12)16(19)18-6-4-17(5-7-18)20-8-9-21-17/h10-11H,4-9H2,1-3H3
InChIKeyBNMRCGGAIYWIDS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone (PubChem CID 6464965) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone
PubChem CID6464965
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)c1
InChIInChI=1S/C17H23NO3/c1-12-10-13(2)15(14(3)11-12)16(19)18-6-4-17(5-7-18)20-8-9-21-17/h10-11H,4-9H2,1-3H3
InChIKeyBNMRCGGAIYWIDS-UHFFFAOYSA-N
XLogP2.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone (CID 6464965) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)c1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is BNMRCGGAIYWIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-10-13(2)15(14(3)11-12)16(19)18-6-4-17(5-7-18)20-8-9-21-17/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 6464965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).