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

C17H23NO3 — CID 17250048

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-14-4-6-15(7-5-14)16(19)18-10-8-17(9-11-18)20-12-13-21-17/h4-7H,2-3,8-13H2,1H3
InChIKeyQYMDPZDVCPGAEE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.62
Rot. Bonds3

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone (PubChem CID 17250048) 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-(4-propylphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone
PubChem CID17250048
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-14-4-6-15(7-5-14)16(19)18-10-8-17(9-11-18)20-12-13-21-17/h4-7H,2-3,8-13H2,1H3
InChIKeyQYMDPZDVCPGAEE-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.62
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-propylphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone (CID 17250048) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone?
The InChIKey is QYMDPZDVCPGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-3-14-4-6-15(7-5-14)16(19)18-10-8-17(9-11-18)20-12-13-21-17/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-propylphenyl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.62, 3 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-propylphenyl)methanone is sourced from PubChem (CID 17250048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).