N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one

C25H51N5O4 — CID 158320092

IUPACN-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)C(=O)N(C)CCN(C)C.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O.C8H16N2O.C8H15NO2/c1-8(2)9(12)11(5)7-6-10(3)4;1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,6-7H2,1-5H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyGOSXPLWOXVJWSV-UHFFFAOYSA-N
MW485.71 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one

N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 158320092) has the molecular formula C25H51N5O4 and a molecular weight of 485.71 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID158320092
Molecular FormulaC25H51N5O4
Molecular Weight485.71 g/mol
Exact Mass485.39
IUPAC NameN-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCC(C)C(=O)N(C)CCN(C)C.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O.C8H16N2O.C8H15NO2/c1-8(2)9(12)11(5)7-6-10(3)4;1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,6-7H2,1-5H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyGOSXPLWOXVJWSV-UHFFFAOYSA-N
XLogP1.24
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1540949
2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 2053583
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 138728485
N-[3-[2-[4-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 155188884
N-[3-[2-[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 168259493
Oxalic acid, diamide N,N'-bis(N-(3-morpholinyl)propyl)-
CID 6421827
N,N'-Trimethylenebis-4-morpholineacetamide
CID 24840194
4,4'-Trimethylenebis(iminocarbonylmethylene)bis(4-methylmorpholinium) diiodide
CID 154584734
2-morpholin-4-yl-N-[5-(2-morpholin-4-ylacetylamino)pentyl]acetamide
CID 3715658
2-(2,6-dimethylmorpholin-4-yl)-N-[2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]ethyl]acetamide
CID 16270015
1-isobutyryl-N-(2-morpholin-4-ylbutyl)piperidin-4-amine
CID 50975339
Morpholine;1-morpholin-4-ylpropan-1-one
CID 21241937

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one (CID 158320092) is N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one is CC(C)C(=O)N(C)CCN(C)C.CC(C)C(=O)N1CCNCC1.CC(C)C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is GOSXPLWOXVJWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C8H16N2O.C8H15NO2/c1-8(2)9(12)11(5)7-6-10(3)4;1-7(2)8(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,6-7H2,1-5H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one?
N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 485.71 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 158320092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).