3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one

C18H31NO5 — CID 23333030

IUPAC3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one
SMILESCC(O)C1C(=O)N(C2CCCCO2)C1C(C)COC1CCCCO1
InChIInChI=1S/C18H31NO5/c1-12(11-24-15-8-4-6-10-23-15)17-16(13(2)20)18(21)19(17)14-7-3-5-9-22-14/h12-17,20H,3-11H2,1-2H3
InChIKeySIAOFTIFZKIWKJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.90
Rot. Bonds6

About 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one

3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one (PubChem CID 23333030) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one
PubChem CID23333030
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Name3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one
SMILESCC(O)C1C(=O)N(C2CCCCO2)C1C(C)COC1CCCCO1
InChIInChI=1S/C18H31NO5/c1-12(11-24-15-8-4-6-10-23-15)17-16(13(2)20)18(21)19(17)14-7-3-5-9-22-14/h12-17,20H,3-11H2,1-2H3
InChIKeySIAOFTIFZKIWKJ-UHFFFAOYSA-N
XLogP1.90
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one with MolForge

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Related Compounds

1-[(2R,3S)-1-(oxan-2-yl)-2-[1-(oxan-2-yloxy)propan-2-yl]-4-oxoazetidin-3-yl]ethyl 2-(4-nitrophenyl)ethaneperoxoate
CID 22811985
3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one
CID 57089748
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
CID 91978788
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
4-[(2S)-1-(oxan-2-yloxy)propan-2-yl]oxy-4-oxobutanoic acid
CID 134236426
(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 57199576

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one (CID 23333030) is 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one is CC(O)C1C(=O)N(C2CCCCO2)C1C(C)COC1CCCCO1.
What is the InChIKey of 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one?
The InChIKey is SIAOFTIFZKIWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5/c1-12(11-24-15-8-4-6-10-23-15)17-16(13(2)20)18(21)19(17)14-7-3-5-9-22-14/h12-17,20H,3-11H2,1-2H3.
What are the key properties of 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one?
3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one has a molecular weight of 341.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one is sourced from PubChem (CID 23333030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).