2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

C15H27NO3 — CID 56872565

IUPAC2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCCCCOCC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-3-10-19-13-14(17)16-8-4-15(5-9-16)6-11-18-12-7-15/h2-13H2,1H3
InChIKeyFEKCKEBAUYGEIN-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds5

About 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 56872565) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID56872565
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCCCCOCC(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-3-10-19-13-14(17)16-8-4-15(5-9-16)6-11-18-12-7-15/h2-13H2,1H3
InChIKeyFEKCKEBAUYGEIN-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 126804088
1-(4-ethynyl-4-hydroxypiperidin-1-yl)-2-pentoxyethanone
CID 126833813
1-(2-butoxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168313
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-butoxyethanone;hydrochloride
CID 120807504
1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
CID 62342996
4-methyl-1-(2-propoxyacetyl)piperidine-4-carboxylic acid
CID 103932837
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
4-(2-butoxyacetyl)morpholine-2-carboxylic acid
CID 119239275
(3aS,7aS)-2-(2-pentoxyacetyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120629122
3-methylsulfonyl-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 131900495
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone (CID 56872565) is 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is CCCCOCC(=O)N1CCC2(CCOCC2)CC1.
What is the InChIKey of 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is FEKCKEBAUYGEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-10-19-13-14(17)16-8-4-15(5-9-16)6-11-18-12-7-15/h2-13H2,1H3.
What are the key properties of 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 269.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 56872565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).