(2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone

C14H19NO3 — CID 118541641

IUPAC(2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone
SMILESCO[C@H](C(=O)N1CCOC[C@@H]1C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-10-18-9-8-15(11)14(16)13(17-2)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyVHLJFUXWXMZMNC-AAEUAGOBSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone

(2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone (PubChem CID 118541641) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone
PubChem CID118541641
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone
SMILESCO[C@H](C(=O)N1CCOC[C@@H]1C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-10-18-9-8-15(11)14(16)13(17-2)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyVHLJFUXWXMZMNC-AAEUAGOBSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone (CID 118541641) is (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone is CO[C@H](C(=O)N1CCOC[C@@H]1C)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone?
The InChIKey is VHLJFUXWXMZMNC-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-10-18-9-8-15(11)14(16)13(17-2)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone?
(2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone has a molecular weight of 249.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 118541641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).