2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide

C16H20N2O5 — CID 43057736

IUPAC2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H20N2O5/c17-14(19)11-21-13-3-1-2-12(10-13)15(20)18-6-4-16(5-7-18)22-8-9-23-16/h1-3,10H,4-9,11H2,(H2,17,19)
InChIKeyGSUGROFUTSQMST-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.53
Rot. Bonds4

About 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide

2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide (PubChem CID 43057736) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
PubChem CID43057736
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H20N2O5/c17-14(19)11-21-13-3-1-2-12(10-13)15(20)18-6-4-16(5-7-18)22-8-9-23-16/h1-3,10H,4-9,11H2,(H2,17,19)
InChIKeyGSUGROFUTSQMST-UHFFFAOYSA-N
XLogP0.53
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
2-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidine-1-carbonyl]phenoxy]acetamide
CID 72902558
[3-[(4-chloropyrazol-1-yl)methoxy]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 19616228
2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 29105768
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
[3-(2-aminoethoxy)phenyl]-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110156835
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109172902
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide (CID 43057736) is 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide is NC(=O)COc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide?
The InChIKey is GSUGROFUTSQMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c17-14(19)11-21-13-3-1-2-12(10-13)15(20)18-6-4-16(5-7-18)22-8-9-23-16/h1-3,10H,4-9,11H2,(H2,17,19).
What are the key properties of 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide?
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide has a molecular weight of 320.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 43057736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).