N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide

C14H26N2O3 — CID 81219149

IUPACN-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C14H26N2O3/c1-5-15(6-11(2)3)14(18)8-16-7-13(9-17)19-10-12(16)4/h12-13,17H,2,5-10H2,1,3-4H3
InChIKeyZQXNJOSGROATQF-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.49
Rot. Bonds6

About N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 81219149) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
PubChem CID81219149
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C14H26N2O3/c1-5-15(6-11(2)3)14(18)8-16-7-13(9-17)19-10-12(16)4/h12-13,17H,2,5-10H2,1,3-4H3
InChIKeyZQXNJOSGROATQF-UHFFFAOYSA-N
XLogP0.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 94066325
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-cyclopropyl-N-ethylacetamide
CID 81217002
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745003
N-(cyclopenten-1-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219227
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N,N-dimethylacetamide
CID 81217721
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide (CID 81219149) is N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN1CC(CO)OCC1C.
What is the InChIKey of N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is ZQXNJOSGROATQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-15(6-11(2)3)14(18)8-16-7-13(9-17)19-10-12(16)4/h12-13,17H,2,5-10H2,1,3-4H3.
What are the key properties of N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 270.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 81219149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).