1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone

C16H24N2O3 — CID 97040365

IUPAC1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone
SMILESCN(CCO)C[C@H]1COCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-17(7-9-19)12-15-13-21-10-8-18(15)16(20)11-14-5-3-2-4-6-14/h2-6,15,19H,7-13H2,1H3/t15-/m0/s1
InChIKeyRNTKWJDCDBAHQW-HNNXBMFYSA-N
MW292.38 g/mol
LogP0.38
Rot. Bonds6

About 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone

1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone (PubChem CID 97040365) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone
PubChem CID97040365
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone
SMILESCN(CCO)C[C@H]1COCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-17(7-9-19)12-15-13-21-10-8-18(15)16(20)11-14-5-3-2-4-6-14/h2-6,15,19H,7-13H2,1H3/t15-/m0/s1
InChIKeyRNTKWJDCDBAHQW-HNNXBMFYSA-N
XLogP0.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone?
The IUPAC name of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone (CID 97040365) is 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone is CN(CCO)C[C@H]1COCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone?
The InChIKey is RNTKWJDCDBAHQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(7-9-19)12-15-13-21-10-8-18(15)16(20)11-14-5-3-2-4-6-14/h2-6,15,19H,7-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone?
1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone has a molecular weight of 292.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 97040365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).