1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone

C19H28N2O4 — CID 134072862

IUPAC1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone
SMILESCOCCN1CCOCC2(C1)CN(C(=O)Cc1ccccc1)CCO2
InChIInChI=1S/C19H28N2O4/c1-23-10-7-20-8-11-24-16-19(14-20)15-21(9-12-25-19)18(22)13-17-5-3-2-4-6-17/h2-6H,7-16H2,1H3
InChIKeyGMTPKXGWFROXCP-UHFFFAOYSA-N
MW348.44 g/mol
LogP0.81
Rot. Bonds5

About 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone

1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone (PubChem CID 134072862) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone
PubChem CID134072862
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone
SMILESCOCCN1CCOCC2(C1)CN(C(=O)Cc1ccccc1)CCO2
InChIInChI=1S/C19H28N2O4/c1-23-10-7-20-8-11-24-16-19(14-20)15-21(9-12-25-19)18(22)13-17-5-3-2-4-6-17/h2-6H,7-16H2,1H3
InChIKeyGMTPKXGWFROXCP-UHFFFAOYSA-N
XLogP0.81
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide
CID 134079078
(5S)-2-(2-methoxyethyl)-10-(2-phenylethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472054
1-[(6R)-4-[[2-(furan-2-yl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]propan-1-one
CID 95710196
1-[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-(1H-indol-3-yl)ethanone
CID 134072864
4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155872453
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 86981316
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131650230

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone?
The IUPAC name of 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone (CID 134072862) is 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone is COCCN1CCOCC2(C1)CN(C(=O)Cc1ccccc1)CCO2.
What is the InChIKey of 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone?
The InChIKey is GMTPKXGWFROXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-23-10-7-20-8-11-24-16-19(14-20)15-21(9-12-25-19)18(22)13-17-5-3-2-4-6-17/h2-6H,7-16H2,1H3.
What are the key properties of 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone?
1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone has a molecular weight of 348.44 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone is sourced from PubChem (CID 134072862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).