1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid

C12H24N2O5 — CID 71785884

IUPAC1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
SMILESCCOCC(=O)N1CCOCC1CN(C)C.O=CO
InChIInChI=1S/C11H22N2O3.CH2O2/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3;2-1-3/h10H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyNEPIHRRZJHEKSV-UHFFFAOYSA-N
MW276.33 g/mol
LogP-0.49
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid

1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid (PubChem CID 71785884) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
PubChem CID71785884
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
SMILESCCOCC(=O)N1CCOCC1CN(C)C.O=CO
InChIInChI=1S/C11H22N2O3.CH2O2/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3;2-1-3/h10H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyNEPIHRRZJHEKSV-UHFFFAOYSA-N
XLogP-0.49
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
CID 97040273
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
CID 71785945
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
CID 71785953
[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 71786025
(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785900
cyclohexyl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040260
(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785925
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-naphthalen-1-ylethanone
CID 71785974
[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71786050
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962
1-[3-(bromomethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212798
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid?
The IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid (CID 71785884) is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid is CCOCC(=O)N1CCOCC1CN(C)C.O=CO.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid?
The InChIKey is NEPIHRRZJHEKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.CH2O2/c1-4-15-9-11(14)13-5-6-16-8-10(13)7-12(2)3;2-1-3/h10H,4-9H2,1-3H3;1H,(H,2,3).
What are the key properties of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid?
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid has a molecular weight of 276.33 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid is sourced from PubChem (CID 71785884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).