N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide

C11H21N2O3+ — CID 54135629

IUPACN-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide
SMILESC=CC(=O)NCOCC[N+]1(C)CCOCC1
InChIInChI=1S/C11H20N2O3/c1-3-11(14)12-10-16-9-6-13(2)4-7-15-8-5-13/h3H,1,4-10H2,2H3/p+1
InChIKeyNXMDIOUKNDWNQA-UHFFFAOYSA-O
MW229.30 g/mol
LogP-0.26
Rot. Bonds6

About N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide

N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide (PubChem CID 54135629) has the molecular formula C11H21N2O3+ and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide
PubChem CID54135629
Molecular FormulaC11H21N2O3+
Molecular Weight229.30 g/mol
Exact Mass229.15
IUPAC NameN-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide
SMILESC=CC(=O)NCOCC[N+]1(C)CCOCC1
InChIInChI=1S/C11H20N2O3/c1-3-11(14)12-10-16-9-6-13(2)4-7-15-8-5-13/h3H,1,4-10H2,2H3/p+1
InChIKeyNXMDIOUKNDWNQA-UHFFFAOYSA-O
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
CID 102434092
N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]prop-2-enamide
CID 129181056
bis(trimethyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium) diiodide
CID 21119534
4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645555
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]octadecanamide
CID 3023894
trimethyl-[3-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]-3-oxopropyl]azanium
CID 3029482
5-[3-(4-methylmorpholin-4-ium-4-yl)propanoyloxy]pentyl 3-(4-methylmorpholin-4-ium-4-yl)propanoate
CID 10484596
N-[2-[4-[2-(prop-2-enoylamino)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]prop-2-enamide
CID 89394666
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87880276
N-(morpholin-4-ylmethyl)prop-2-enamide
CID 22725837
trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride
CID 10690726
N-(butoxymethyl)prop-2-enamide;2-methylprop-2-enoic acid;prop-2-enoyl prop-2-enoate
CID 174374068

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide (CID 54135629) is N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide is C=CC(=O)NCOCC[N+]1(C)CCOCC1.
What is the InChIKey of N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide?
The InChIKey is NXMDIOUKNDWNQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(14)12-10-16-9-6-13(2)4-7-15-8-5-13/h3H,1,4-10H2,2H3/p+1.
What are the key properties of N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide?
N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide has a molecular weight of 229.30 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylmorpholin-4-ium-4-yl)ethoxymethyl]prop-2-enamide is sourced from PubChem (CID 54135629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).