N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide

C13H24N2O3 — CID 94178807

IUPACN-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
SMILESCC(=O)NCCCCCC(=O)N1CCO[C@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-11-10-15(8-9-18-11)13(17)6-4-3-5-7-14-12(2)16/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyXSXQGUJLYFASMU-LLVKDONJSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds6

About N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide

N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide (PubChem CID 94178807) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide.

Molecular Properties

Compound NameN-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
PubChem CID94178807
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
SMILESCC(=O)NCCCCCC(=O)N1CCO[C@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-11-10-15(8-9-18-11)13(17)6-4-3-5-7-14-12(2)16/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyXSXQGUJLYFASMU-LLVKDONJSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94053945
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
5-chloro-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62986786
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid
CID 43473794
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849
methyl 2-[4-(3-acetamidopropanoyl)morpholin-2-yl]acetate
CID 79807285
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
2,3,4,5,6-pentamethyl-N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
CID 51293304
1-(2-methylmorpholin-4-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 110309987

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide?
The IUPAC name of N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide (CID 94178807) is N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide.
What is the SMILES notation for N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide?
The canonical SMILES for N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide is CC(=O)NCCCCCC(=O)N1CCO[C@H](C)C1.
What is the InChIKey of N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide?
The InChIKey is XSXQGUJLYFASMU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11-10-15(8-9-18-11)13(17)6-4-3-5-7-14-12(2)16/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide?
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide is sourced from PubChem (CID 94178807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).