(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid

C17H26N2O6 — CID 71785900

IUPAC(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
SMILESCOc1ccc(C(=O)N2CCOCC2CN(C)C)c(OC)c1.O=CO
InChIInChI=1S/C16H24N2O4.CH2O2/c1-17(2)10-12-11-22-8-7-18(12)16(19)14-6-5-13(20-3)9-15(14)21-4;2-1-3/h5-6,9,12H,7-8,10-11H2,1-4H3;1H,(H,2,3)
InChIKeyOPLKZWVXQLLZDG-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.81
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid

(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid (PubChem CID 71785900) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
PubChem CID71785900
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
SMILESCOc1ccc(C(=O)N2CCOCC2CN(C)C)c(OC)c1.O=CO
InChIInChI=1S/C16H24N2O4.CH2O2/c1-17(2)10-12-11-22-8-7-18(12)16(19)14-6-5-13(20-3)9-15(14)21-4;2-1-3/h5-6,9,12H,7-8,10-11H2,1-4H3;1H,(H,2,3)
InChIKeyOPLKZWVXQLLZDG-UHFFFAOYSA-N
XLogP0.81
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785925
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
CID 71785945
(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040326
[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 71786025
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 71785895
(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71785911
(2-amino-4-methoxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 115413192
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
CID 71785884
(2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71786001
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
CID 71785953
[2-(bromomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 80659839
(2,4-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methanone;formic acid
CID 155875346

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid (CID 71785900) is (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid is COc1ccc(C(=O)N2CCOCC2CN(C)C)c(OC)c1.O=CO.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
The InChIKey is OPLKZWVXQLLZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.CH2O2/c1-17(2)10-12-11-22-8-7-18(12)16(19)14-6-5-13(20-3)9-15(14)21-4;2-1-3/h5-6,9,12H,7-8,10-11H2,1-4H3;1H,(H,2,3).
What are the key properties of (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid has a molecular weight of 354.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid is sourced from PubChem (CID 71785900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).