1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone

C16H21NO3 — CID 17250108

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H21NO3/c1-2-13-3-5-14(6-4-13)15(18)17-9-7-16(8-10-17)19-11-12-20-16/h3-6H,2,7-12H2,1H3
InChIKeyUEDABAANACQGKN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds2

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone (PubChem CID 17250108) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone
PubChem CID17250108
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H21NO3/c1-2-13-3-5-14(6-4-13)15(18)17-9-7-16(8-10-17)19-11-12-20-16/h3-6H,2,7-12H2,1H3
InChIKeyUEDABAANACQGKN-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
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-(4-ethylphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone (CID 17250108) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone?
The InChIKey is UEDABAANACQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-13-3-5-14(6-4-13)15(18)17-9-7-16(8-10-17)19-11-12-20-16/h3-6H,2,7-12H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-ethylphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.23, 2 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-(4-ethylphenyl)methanone is sourced from PubChem (CID 17250108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).