[8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate

C18H20N2O5 — CID 70236913

IUPAC[8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate
SMILESCC(=O)ON1CC2(CCC(OCc3ccc(C#N)cc3)CC2)OC1=O
InChIInChI=1S/C18H20N2O5/c1-13(21)25-20-12-18(24-17(20)22)8-6-16(7-9-18)23-11-15-4-2-14(10-19)3-5-15/h2-5,16H,6-9,11-12H2,1H3
InChIKeyLUIMOELRHVBGBP-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.69
Rot. Bonds4

About [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate

[8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate (PubChem CID 70236913) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate.

Molecular Properties

Compound Name[8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate
PubChem CID70236913
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate
SMILESCC(=O)ON1CC2(CCC(OCc3ccc(C#N)cc3)CC2)OC1=O
InChIInChI=1S/C18H20N2O5/c1-13(21)25-20-12-18(24-17(20)22)8-6-16(7-9-18)23-11-15-4-2-14(10-19)3-5-15/h2-5,16H,6-9,11-12H2,1H3
InChIKeyLUIMOELRHVBGBP-UHFFFAOYSA-N
XLogP2.69
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl) acetate
CID 141400367
4-(oxan-4-yloxymethyl)benzonitrile
CID 55139138
3-[(4-cyanophenyl)methoxy]cyclobutane-1-carboxylic acid
CID 58557319
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
1-cyano-4-phenylmethoxycyclohexane-1-carboxylic acid
CID 174811000
2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
CID 68790675
ethane;4-(2-oxopropoxymethyl)benzonitrile
CID 142506335
[(1S,3R)-3-[(4-ethynylphenyl)methoxy]cyclohexyl] acetate
CID 88556649
2-[4-[(4,4-dimethylcyclohexyl)oxymethyl]phenyl]acetohydrazide
CID 105351589
tert-butyl 2-[8-(4-cyanobenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate
CID 20622697
4-[[8-(3,4-dichlorobenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 66902239
ethyl 4-[3-(4-cyanophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]butanoate
CID 23435705

Frequently Asked Questions

What is the IUPAC name of [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate?
The IUPAC name of [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate (CID 70236913) is [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate.
What is the SMILES notation for [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate?
The canonical SMILES for [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate is CC(=O)ON1CC2(CCC(OCc3ccc(C#N)cc3)CC2)OC1=O.
What is the InChIKey of [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate?
The InChIKey is LUIMOELRHVBGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-13(21)25-20-12-18(24-17(20)22)8-6-16(7-9-18)23-11-15-4-2-14(10-19)3-5-15/h2-5,16H,6-9,11-12H2,1H3.
What are the key properties of [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate?
[8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate has a molecular weight of 344.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-cyanophenyl)methoxy]-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl] acetate is sourced from PubChem (CID 70236913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).