3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one

C13H22N4O2 — CID 20789441

IUPAC3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one
SMILESCCOCC1C(=O)N2CCN3CCN4CCN1C2C34
InChIInChI=1S/C13H22N4O2/c1-2-19-9-10-13(18)17-8-6-15-4-3-14-5-7-16(10)12(17)11(14)15/h10-12H,2-9H2,1H3
InChIKeyYLCHLCWYPHFVLG-UHFFFAOYSA-N
MW266.34 g/mol
LogP-1.17
Rot. Bonds3

About 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one

3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one (PubChem CID 20789441) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one.

Molecular Properties

Compound Name3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one
PubChem CID20789441
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one
SMILESCCOCC1C(=O)N2CCN3CCN4CCN1C2C34
InChIInChI=1S/C13H22N4O2/c1-2-19-9-10-13(18)17-8-6-15-4-3-14-5-7-16(10)12(17)11(14)15/h10-12H,2-9H2,1H3
InChIKeyYLCHLCWYPHFVLG-UHFFFAOYSA-N
XLogP-1.17
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-3-(ethoxymethyl)imidazolidin-2-one
CID 166943016
2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
CID 23116890
1,3-bis(ethoxymethyl)imidazolidin-2-one
CID 159426248
1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 22182311
ethoxyethane;imidazolidin-2-one
CID 143640970
(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine
CID 88977159
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
4-ethyl-7-(propoxymethyl)-1-azabicyclo[3.2.0]heptan-6-one
CID 147053043
ethoxyethane;oxophosphane
CID 18547249
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 25027466
4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrazolidin-3-one
CID 23104221

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one?
The IUPAC name of 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one (CID 20789441) is 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one.
What is the SMILES notation for 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one?
The canonical SMILES for 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one is CCOCC1C(=O)N2CCN3CCN4CCN1C2C34.
What is the InChIKey of 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one?
The InChIKey is YLCHLCWYPHFVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-19-9-10-13(18)17-8-6-15-4-3-14-5-7-16(10)12(17)11(14)15/h10-12H,2-9H2,1H3.
What are the key properties of 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one?
3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one has a molecular weight of 266.34 g/mol, XLogP of -1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one is sourced from PubChem (CID 20789441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).