ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one

C21H41N3O3 — CID 156707835

IUPACethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC.CC(C)C(=O)N1CCN(C)C2(CC2)C1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O.C8H15NO2.C2H6/c1-9(2)10(14)13-7-6-12(3)11(8-13)4-5-11;1-7(2)8(10)9-3-5-11-6-4-9;1-2/h9H,4-8H2,1-3H3;7H,3-6H2,1-2H3;1-2H3
InChIKeySAFNMTSGTGPRLY-UHFFFAOYSA-N
MW383.58 g/mol
LogP2.48
Rot. Bonds2

About ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one

ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 156707835) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID156707835
Molecular FormulaC21H41N3O3
Molecular Weight383.58 g/mol
Exact Mass383.31
IUPAC Nameethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC.CC(C)C(=O)N1CCN(C)C2(CC2)C1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O.C8H15NO2.C2H6/c1-9(2)10(14)13-7-6-12(3)11(8-13)4-5-11;1-7(2)8(10)9-3-5-11-6-4-9;1-2/h9H,4-8H2,1-3H3;7H,3-6H2,1-2H3;1-2H3
InChIKeySAFNMTSGTGPRLY-UHFFFAOYSA-N
XLogP2.48
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one (CID 156707835) is ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one is CC.CC(C)C(=O)N1CCN(C)C2(CC2)C1.CC(C)C(=O)N1CCOCC1.
What is the InChIKey of ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is SAFNMTSGTGPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.C8H15NO2.C2H6/c1-9(2)10(14)13-7-6-12(3)11(8-13)4-5-11;1-7(2)8(10)9-3-5-11-6-4-9;1-2/h9H,4-8H2,1-3H3;7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one?
ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 383.58 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 156707835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).