1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone

C19H28N2O3 — CID 125146662

IUPAC1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)CNC[C@@H]1CCCO1
InChIInChI=1S/C19H28N2O3/c1-14-13-24-19(16-7-4-3-5-8-16)15(2)21(14)18(22)12-20-11-17-9-6-10-23-17/h3-5,7-8,14-15,17,19-20H,6,9-13H2,1-2H3/t14-,15+,17+,19+/m1/s1
InChIKeyNMGAMTPIVPZXRV-YEWFCNIMSA-N
MW332.44 g/mol
LogP2.13
Rot. Bonds5

About 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone

1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone (PubChem CID 125146662) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
PubChem CID125146662
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)CNC[C@@H]1CCCO1
InChIInChI=1S/C19H28N2O3/c1-14-13-24-19(16-7-4-3-5-8-16)15(2)21(14)18(22)12-20-11-17-9-6-10-23-17/h3-5,7-8,14-15,17,19-20H,6,9-13H2,1-2H3/t14-,15+,17+,19+/m1/s1
InChIKeyNMGAMTPIVPZXRV-YEWFCNIMSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone with MolForge

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Related Compounds

1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124693644
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone
CID 100891584
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124776476
1-[(2S)-2-methylpiperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439792
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyethyl)acetamide
CID 119684520
1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 100847911

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
The IUPAC name of 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone (CID 125146662) is 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone.
What is the SMILES notation for 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
The canonical SMILES for 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone is C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)CNC[C@@H]1CCCO1.
What is the InChIKey of 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
The InChIKey is NMGAMTPIVPZXRV-YEWFCNIMSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-13-24-19(16-7-4-3-5-8-16)15(2)21(14)18(22)12-20-11-17-9-6-10-23-17/h3-5,7-8,14-15,17,19-20H,6,9-13H2,1-2H3/t14-,15+,17+,19+/m1/s1.
What are the key properties of 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone?
1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone is sourced from PubChem (CID 125146662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).