2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide

C18H28N2O2 — CID 86908311

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CC(C)OC(C)C1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-4-8-17(16-9-6-5-7-10-16)19-18(21)13-20-11-14(2)22-15(3)12-20/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3,(H,19,21)
InChIKeyATDDKERDJWFTCB-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.75
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide

2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide (PubChem CID 86908311) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide
PubChem CID86908311
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CC(C)OC(C)C1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-4-8-17(16-9-6-5-7-10-16)19-18(21)13-20-11-14(2)22-15(3)12-20/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3,(H,19,21)
InChIKeyATDDKERDJWFTCB-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
[2-oxo-2-(1-phenylbutylamino)ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55995069
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide (CID 86908311) is 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CN1CC(C)OC(C)C1)c1ccccc1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide?
The InChIKey is ATDDKERDJWFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-8-17(16-9-6-5-7-10-16)19-18(21)13-20-11-14(2)22-15(3)12-20/h5-7,9-10,14-15,17H,4,8,11-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide?
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 86908311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).