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

C18H25N3O3 — CID 154244713

IUPAC1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CCN2CCC3(CC2)OCCO3)CCN1c1ccccc1
InChIInChI=1S/C18H25N3O3/c22-17-20(12-13-21(17)16-4-2-1-3-5-16)11-10-19-8-6-18(7-9-19)23-14-15-24-18/h1-5H,6-15H2
InChIKeyKWQDWIFBRHLZIL-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.77
Rot. Bonds4

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

1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one (PubChem CID 154244713) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one
PubChem CID154244713
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CCN2CCC3(CC2)OCCO3)CCN1c1ccccc1
InChIInChI=1S/C18H25N3O3/c22-17-20(12-13-21(17)16-4-2-1-3-5-16)11-10-19-8-6-18(7-9-19)23-14-15-24-18/h1-5H,6-15H2
InChIKeyKWQDWIFBRHLZIL-UHFFFAOYSA-N
XLogP1.77
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one (CID 154244713) is 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one is O=C1N(CCN2CCC3(CC2)OCCO3)CCN1c1ccccc1.
What is the InChIKey of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one?
The InChIKey is KWQDWIFBRHLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17-20(12-13-21(17)16-4-2-1-3-5-16)11-10-19-8-6-18(7-9-19)23-14-15-24-18/h1-5H,6-15H2.
What are the key properties of 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one?
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 154244713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).