N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

C15H26N2O3 — CID 102936046

IUPACN-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CC(C)OC(CO)C1
InChIInChI=1S/C15H26N2O3/c1-5-15(6-2,7-3)16-14(19)10-17-8-12(4)20-13(9-17)11-18/h1,12-13,18H,6-11H2,2-4H3,(H,16,19)
InChIKeyMKUQWAQRTYWYTI-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.38
Rot. Bonds6

About N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (PubChem CID 102936046) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
PubChem CID102936046
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CC(C)OC(CO)C1
InChIInChI=1S/C15H26N2O3/c1-5-15(6-2,7-3)16-14(19)10-17-8-12(4)20-13(9-17)11-18/h1,12-13,18H,6-11H2,2-4H3,(H,16,19)
InChIKeyMKUQWAQRTYWYTI-UHFFFAOYSA-N
XLogP0.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 65249512
N'-acetyl-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetohydrazide
CID 102936068
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102938967
N-(3,5-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936061
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-(2-methoxyethyl)acetamide
CID 102935622
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865
N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932812
N-ethyl-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylacetamide
CID 102935999
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788921
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864
N-(3-ethylpent-1-yn-3-yl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267637
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 81460905

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (CID 102936046) is N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is C#CC(CC)(CC)NC(=O)CN1CC(C)OC(CO)C1.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The InChIKey is MKUQWAQRTYWYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-15(6-2,7-3)16-14(19)10-17-8-12(4)20-13(9-17)11-18/h1,12-13,18H,6-11H2,2-4H3,(H,16,19).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide has a molecular weight of 282.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 102936046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).