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

C17H26N2O6 — CID 71785895

IUPACformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOCC2CN(C)CCO)c1.O=CO
InChIInChI=1S/C16H24N2O4.CH2O2/c1-17(6-8-19)11-14-12-22-9-7-18(14)16(20)13-4-3-5-15(10-13)21-2;2-1-3/h3-5,10,14,19H,6-9,11-12H2,1-2H3;1H,(H,2,3)
InChIKeyYQCSLJDGLQTCIH-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.16
Rot. Bonds6

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

formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone (PubChem CID 71785895) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Nameformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
PubChem CID71785895
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Nameformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOCC2CN(C)CCO)c1.O=CO
InChIInChI=1S/C16H24N2O4.CH2O2/c1-17(6-8-19)11-14-12-22-9-7-18(14)16(20)13-4-3-5-15(10-13)21-2;2-1-3/h3-5,10,14,19H,6-9,11-12H2,1-2H3;1H,(H,2,3)
InChIKeyYQCSLJDGLQTCIH-UHFFFAOYSA-N
XLogP0.16
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.16
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

(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71785911
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;[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
[3-[[1-(3-methoxyphenyl)ethylamino]methyl]morpholin-4-yl]-phenylmethanone
CID 72680064
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
[3-(2-hydroxyethyl)morpholin-4-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 136557337
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686

Frequently Asked Questions

What is the IUPAC name of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone (CID 71785895) is formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCOCC2CN(C)CCO)c1.O=CO.
What is the InChIKey of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
The InChIKey is YQCSLJDGLQTCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.CH2O2/c1-17(6-8-19)11-14-12-22-9-7-18(14)16(20)13-4-3-5-15(10-13)21-2;2-1-3/h3-5,10,14,19H,6-9,11-12H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone has a molecular weight of 354.40 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 71785895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).