2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C15H28N2O4 — CID 114777452

IUPAC2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CC(CO)OC(C)(C)C1)C(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)14(11(3)19)16-13(20)7-17-6-12(8-18)21-15(4,5)9-17/h10,12,14,18H,6-9H2,1-5H3,(H,16,20)
InChIKeyYMZQSOCQURFOFT-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.19
Rot. Bonds6

About 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 114777452) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID114777452
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CC(CO)OC(C)(C)C1)C(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)14(11(3)19)16-13(20)7-17-6-12(8-18)21-15(4,5)9-17/h10,12,14,18H,6-9H2,1-5H3,(H,16,20)
InChIKeyYMZQSOCQURFOFT-UHFFFAOYSA-N
XLogP0.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 114779721
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide
CID 114782398
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 114779698
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone
CID 114779666
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 114779811
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-(3-methylbutyl)acetamide
CID 114782492
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 114779696
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 114777452) is 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN1CC(CO)OC(C)(C)C1)C(C)C.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is YMZQSOCQURFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)14(11(3)19)16-13(20)7-17-6-12(8-18)21-15(4,5)9-17/h10,12,14,18H,6-9H2,1-5H3,(H,16,20).
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 114777452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).