(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

C18H28N2O7 — CID 71785911

IUPAC(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCOCC2CN(C)CCO)c1.O=CO
InChIInChI=1S/C17H26N2O5.CH2O2/c1-18(4-6-20)11-14-12-24-7-5-19(14)17(21)13-8-15(22-2)10-16(9-13)23-3;2-1-3/h8-10,14,20H,4-7,11-12H2,1-3H3;1H,(H,2,3)
InChIKeySRZYRUWUOHBTOE-UHFFFAOYSA-N
MW384.43 g/mol
LogP0.17
Rot. Bonds7

About (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (PubChem CID 71785911) has the molecular formula C18H28N2O7 and a molecular weight of 384.43 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
PubChem CID71785911
Molecular FormulaC18H28N2O7
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCOCC2CN(C)CCO)c1.O=CO
InChIInChI=1S/C17H26N2O5.CH2O2/c1-18(4-6-20)11-14-12-24-7-5-19(14)17(21)13-8-15(22-2)10-16(9-13)23-3;2-1-3/h8-10,14,20H,4-7,11-12H2,1-3H3;1H,(H,2,3)
InChIKeySRZYRUWUOHBTOE-UHFFFAOYSA-N
XLogP0.17
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 71785895
1,3-benzodioxol-5-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71785914
(2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71786001
formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
CID 71785985
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 71786023
(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785900
1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone
CID 97040365
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
CID 71785945
(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785925
cyclohexyl-[(3R)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
CID 97040262
cyclohexyl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
CID 71785875
[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 71786025

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The IUPAC name of (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (CID 71785911) is (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The canonical SMILES for (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is COc1cc(OC)cc(C(=O)N2CCOCC2CN(C)CCO)c1.O=CO.
What is the InChIKey of (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The InChIKey is SRZYRUWUOHBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5.CH2O2/c1-18(4-6-20)11-14-12-24-7-5-19(14)17(21)13-8-15(22-2)10-16(9-13)23-3;2-1-3/h8-10,14,20H,4-7,11-12H2,1-3H3;1H,(H,2,3).
What are the key properties of (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid has a molecular weight of 384.43 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is sourced from PubChem (CID 71785911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).