4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one

C18H23NO4 — CID 11834088

IUPAC4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)CC2C2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H23NO4/c1-21-14-7-5-13(6-8-14)19-15(11-17(19)20)16-12-22-18(23-16)9-3-2-4-10-18/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyBKCGBMBUYAHUJN-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.88
Rot. Bonds3

About 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one

4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 11834088) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID11834088
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)CC2C2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H23NO4/c1-21-14-7-5-13(6-8-14)19-15(11-17(19)20)16-12-22-18(23-16)9-3-2-4-10-18/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyBKCGBMBUYAHUJN-UHFFFAOYSA-N
XLogP2.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one (CID 11834088) is 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)CC2C2COC3(CCCCC3)O2)cc1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is BKCGBMBUYAHUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-14-7-5-13(6-8-14)19-15(11-17(19)20)16-12-22-18(23-16)9-3-2-4-10-18/h5-8,15-16H,2-4,9-12H2,1H3.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one?
4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 317.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 11834088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).