2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

C18H27FN2O3 — CID 129482251

IUPAC2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@H]1CN(Cc2cccc(F)c2)CC(C)(C)O1
InChIInChI=1S/C18H27FN2O3/c1-18(2)13-21(9-14-6-5-7-15(19)8-14)10-16(24-18)11-23-12-17(22)20(3)4/h5-8,16H,9-13H2,1-4H3/t16-/m1/s1
InChIKeyAMCPHKGEJNXKBL-MRXNPFEDSA-N
MW338.42 g/mol
LogP1.91
Rot. Bonds6

About 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 129482251) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID129482251
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@H]1CN(Cc2cccc(F)c2)CC(C)(C)O1
InChIInChI=1S/C18H27FN2O3/c1-18(2)13-21(9-14-6-5-7-15(19)8-14)10-16(24-18)11-23-12-17(22)20(3)4/h5-8,16H,9-13H2,1-4H3/t16-/m1/s1
InChIKeyAMCPHKGEJNXKBL-MRXNPFEDSA-N
XLogP1.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(3,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128975967
2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129483580
2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482524
2-[[(2S)-6,6-dimethyl-4-[(1-methylpyrrol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482410
2-[[6,6-dimethyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 154739970
2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129350879
2-[[6,6-dimethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128975963
2-[[6,6-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976078
2-[[(2R)-4-(1H-imidazol-5-ylmethyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482312
2-[[4-(5-fluoropyrimidin-2-yl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128977522
2-[[6,6-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976013
2-[[(2R)-4-(3-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129484491

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 129482251) is 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@H]1CN(Cc2cccc(F)c2)CC(C)(C)O1.
What is the InChIKey of 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is AMCPHKGEJNXKBL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-18(2)13-21(9-14-6-5-7-15(19)8-14)10-16(24-18)11-23-12-17(22)20(3)4/h5-8,16H,9-13H2,1-4H3/t16-/m1/s1.
What are the key properties of 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 338.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 129482251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).