(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one

C17H26N2O2 — CID 70780262

IUPAC(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one
SMILESCC[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C17H26N2O2/c1-4-15-13-21-11-10-19(15)17(20)16(18(2)3)12-14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3/t15-,16-/m0/s1
InChIKeyQZEZUIWLKXWRQR-HOTGVXAUSA-N
MW290.41 g/mol
LogP1.80
Rot. Bonds5

About (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one

(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 70780262) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one
PubChem CID70780262
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one
SMILESCC[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C17H26N2O2/c1-4-15-13-21-11-10-19(15)17(20)16(18(2)3)12-14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3/t15-,16-/m0/s1
InChIKeyQZEZUIWLKXWRQR-HOTGVXAUSA-N
XLogP1.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one 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-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one (CID 70780262) is (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one is CC[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is QZEZUIWLKXWRQR-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15-13-21-11-10-19(15)17(20)16(18(2)3)12-14-8-6-5-7-9-14/h5-9,15-16H,4,10-13H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one?
(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 70780262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).