N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide

C14H26N2O3 — CID 94053945

IUPACN-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide
SMILESCC(=O)NCCCCCC(=O)N1C[C@@H](C)OC[C@H]1C
InChIInChI=1S/C14H26N2O3/c1-11-10-19-12(2)9-16(11)14(18)7-5-4-6-8-15-13(3)17/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyIRAURXHPYLSIOZ-VXGBXAGGSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds6

About N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide

N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide (PubChem CID 94053945) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide.

Molecular Properties

Compound NameN-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide
PubChem CID94053945
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide
SMILESCC(=O)NCCCCCC(=O)N1C[C@@H](C)OC[C@H]1C
InChIInChI=1S/C14H26N2O3/c1-11-10-19-12(2)9-16(11)14(18)7-5-4-6-8-15-13(3)17/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyIRAURXHPYLSIOZ-VXGBXAGGSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide with MolForge

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Related Compounds

1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
CID 60842405
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119729187
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807
1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363933
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
methyl N-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-N-methylcarbamate
CID 51081735
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
N-(8-oxononyl)acetamide
CID 58114719
ethyl 6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392282
ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392283

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide?
The IUPAC name of N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide (CID 94053945) is N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide.
What is the SMILES notation for N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide?
The canonical SMILES for N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide is CC(=O)NCCCCCC(=O)N1C[C@@H](C)OC[C@H]1C.
What is the InChIKey of N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide?
The InChIKey is IRAURXHPYLSIOZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-10-19-12(2)9-16(11)14(18)7-5-4-6-8-15-13(3)17/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide?
N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide has a molecular weight of 270.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-6-oxohexyl]acetamide is sourced from PubChem (CID 94053945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).