N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide

C10H17Cl3N2O2 — CID 3103514

IUPACN-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
SMILESCC(=O)NC(N1CC(C)OC(C)C1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3N2O2/c1-6-4-15(5-7(2)17-6)9(10(11,12)13)14-8(3)16/h6-7,9H,4-5H2,1-3H3,(H,14,16)
InChIKeyINQURHWBKQKKHZ-UHFFFAOYSA-N
MW303.62 g/mol
LogP1.93
Rot. Bonds2

About N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide

N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide (PubChem CID 3103514) has the molecular formula C10H17Cl3N2O2 and a molecular weight of 303.62 g/mol. Its IUPAC name is N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
PubChem CID3103514
Molecular FormulaC10H17Cl3N2O2
Molecular Weight303.62 g/mol
Exact Mass302.04
IUPAC NameN-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
SMILESCC(=O)NC(N1CC(C)OC(C)C1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3N2O2/c1-6-4-15(5-7(2)17-6)9(10(11,12)13)14-8(3)16/h6-7,9H,4-5H2,1-3H3,(H,14,16)
InChIKeyINQURHWBKQKKHZ-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.62
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-N-[(1R)-2,2,2-trichloro-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]benzamide
CID 27340054
N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide
CID 99788405
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 60644884
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid
CID 104959290
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
CID 119348720
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
The IUPAC name of N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide (CID 3103514) is N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide is CC(=O)NC(N1CC(C)OC(C)C1)C(Cl)(Cl)Cl.
What is the InChIKey of N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
The InChIKey is INQURHWBKQKKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl3N2O2/c1-6-4-15(5-7(2)17-6)9(10(11,12)13)14-8(3)16/h6-7,9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide has a molecular weight of 303.62 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trichloro-1-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide is sourced from PubChem (CID 3103514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).