2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C16H30N2O3 — CID 131644047

IUPAC2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCCOCC1COCCC12CCN(C(=O)CN(C)C)CC2
InChIInChI=1S/C16H30N2O3/c1-4-20-12-14-13-21-10-7-16(14)5-8-18(9-6-16)15(19)11-17(2)3/h14H,4-13H2,1-3H3
InChIKeyXPZFQIKKJHUMRV-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.23
Rot. Bonds5

About 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 131644047) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID131644047
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCCOCC1COCCC12CCN(C(=O)CN(C)C)CC2
InChIInChI=1S/C16H30N2O3/c1-4-20-12-14-13-21-10-7-16(14)5-8-18(9-6-16)15(19)11-17(2)3/h14H,4-13H2,1-3H3
InChIKeyXPZFQIKKJHUMRV-UHFFFAOYSA-N
XLogP1.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738883
cyclohexen-1-yl-[(5R)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97418659
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457
N,N-dimethyl-2-[[(5R)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476480
N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476479
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
CID 97418737
(5R)-5-(ethoxymethyl)-9-[(5-methylthiophen-2-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97418617
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
[5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
CID 131658496

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 131644047) is 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is CCOCC1COCCC12CCN(C(=O)CN(C)C)CC2.
What is the InChIKey of 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is XPZFQIKKJHUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-20-12-14-13-21-10-7-16(14)5-8-18(9-6-16)15(19)11-17(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 298.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 131644047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).