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

C14H22N2O6 — CID 71785985

IUPACformic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
SMILESCN(CCO)CC1COCCN1C(=O)c1ccco1.O=CO
InChIInChI=1S/C13H20N2O4.CH2O2/c1-14(4-6-16)9-11-10-18-8-5-15(11)13(17)12-3-2-7-19-12;2-1-3/h2-3,7,11,16H,4-6,8-10H2,1H3;1H,(H,2,3)
InChIKeyXNLUNWSWTJOIAL-UHFFFAOYSA-N
MW314.34 g/mol
LogP-0.25
Rot. Bonds5

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

formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone (PubChem CID 71785985) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Nameformic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
PubChem CID71785985
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Nameformic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone
SMILESCN(CCO)CC1COCCN1C(=O)c1ccco1.O=CO
InChIInChI=1S/C13H20N2O4.CH2O2/c1-14(4-6-16)9-11-10-18-8-5-15(11)13(17)12-3-2-7-19-12;2-1-3/h2-3,7,11,16H,4-6,8-10H2,1H3;1H,(H,2,3)
InChIKeyXNLUNWSWTJOIAL-UHFFFAOYSA-N
XLogP-0.25
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone
CID 97040365
1,3-benzodioxol-5-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71785914
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 71786023
(2,5-dimethylfuran-3-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71786001
(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71785911
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
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71785859
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953

Frequently Asked Questions

What is the IUPAC name of formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
The IUPAC name of formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone (CID 71785985) is formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
The canonical SMILES for formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone is CN(CCO)CC1COCCN1C(=O)c1ccco1.O=CO.
What is the InChIKey of formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
The InChIKey is XNLUNWSWTJOIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.CH2O2/c1-14(4-6-16)9-11-10-18-8-5-15(11)13(17)12-3-2-7-19-12;2-1-3/h2-3,7,11,16H,4-6,8-10H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone?
formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone has a molecular weight of 314.34 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;furan-2-yl-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71785985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).