2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

C19H27N3O3 — CID 129482524

IUPAC2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CN(Cc2ccc(C#N)cc2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-19(2)14-22(10-16-7-5-15(9-20)6-8-16)11-17(25-19)12-24-13-18(23)21(3)4/h5-8,17H,10-14H2,1-4H3/t17-/m0/s1
InChIKeyGSWRUHMKMCDUDF-KRWDZBQOSA-N
MW345.44 g/mol
LogP1.64
Rot. Bonds6

About 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide

2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 129482524) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
PubChem CID129482524
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CN(Cc2ccc(C#N)cc2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-19(2)14-22(10-16-7-5-15(9-20)6-8-16)11-17(25-19)12-24-13-18(23)21(3)4/h5-8,17H,10-14H2,1-4H3/t17-/m0/s1
InChIKeyGSWRUHMKMCDUDF-KRWDZBQOSA-N
XLogP1.64
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[[(2R)-4-[(3-fluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482251
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-[(1-methylpyrrol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482410
2-[[4-[(2-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 167981380
2-[[(2S)-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129350879
2-[[(2R)-4-(1H-imidazol-5-ylmethyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129482312
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-[[(2R)-4-(3-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129484491
2-[[6,6-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976013
4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide
CID 129483089

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide (CID 129482524) is 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@@H]1CN(Cc2ccc(C#N)cc2)CC(C)(C)O1.
What is the InChIKey of 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is GSWRUHMKMCDUDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2)14-22(10-16-7-5-15(9-20)6-8-16)11-17(25-19)12-24-13-18(23)21(3)4/h5-8,17H,10-14H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide?
2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 345.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-[(4-cyanophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 129482524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).