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

C17H26N2O6 — CID 71785945

IUPAC1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
SMILESCOc1ccc(OCC(=O)N2CCOCC2CN(C)C)cc1.O=CO
InChIInChI=1S/C16H24N2O4.CH2O2/c1-17(2)10-13-11-21-9-8-18(13)16(19)12-22-15-6-4-14(20-3)5-7-15;2-1-3/h4-7,13H,8-12H2,1-3H3;1H,(H,2,3)
InChIKeyNBCWGKXRKMZHPA-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.56
Rot. Bonds6

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

1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid (PubChem CID 71785945) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
PubChem CID71785945
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
SMILESCOc1ccc(OCC(=O)N2CCOCC2CN(C)C)cc1.O=CO
InChIInChI=1S/C16H24N2O4.CH2O2/c1-17(2)10-13-11-21-9-8-18(13)16(19)12-22-15-6-4-14(20-3)5-7-15;2-1-3/h4-7,13H,8-12H2,1-3H3;1H,(H,2,3)
InChIKeyNBCWGKXRKMZHPA-UHFFFAOYSA-N
XLogP0.56
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
CID 71785953
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
CID 71785884
(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785900
1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
CID 97040273
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785925
[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 71786025
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-naphthalen-1-ylethanone
CID 71785974
(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71785911
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 71785895
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid?
The IUPAC name of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid (CID 71785945) is 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid is COc1ccc(OCC(=O)N2CCOCC2CN(C)C)cc1.O=CO.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid?
The InChIKey is NBCWGKXRKMZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.CH2O2/c1-17(2)10-13-11-21-9-8-18(13)16(19)12-22-15-6-4-14(20-3)5-7-15;2-1-3/h4-7,13H,8-12H2,1-3H3;1H,(H,2,3).
What are the key properties of 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid?
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid has a molecular weight of 354.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid is sourced from PubChem (CID 71785945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).