(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate

C22H24N2O5 — CID 7221898

IUPAC(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)N1CCOCC1
InChIInChI=1S/C22H24N2O5/c25-20(24-11-13-28-14-12-24)16-29-21(26)15-19(17-7-3-1-4-8-17)23-22(27)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,23,27)/t19-/m0/s1
InChIKeyBPGIJSMAJIRHJG-IBGZPJMESA-N
MW396.44 g/mol
LogP1.95
Rot. Bonds7

About (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate

(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate (PubChem CID 7221898) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
PubChem CID7221898
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)N1CCOCC1
InChIInChI=1S/C22H24N2O5/c25-20(24-11-13-28-14-12-24)16-29-21(26)15-19(17-7-3-1-4-8-17)23-22(27)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,23,27)/t19-/m0/s1
InChIKeyBPGIJSMAJIRHJG-IBGZPJMESA-N
XLogP1.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214746
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 4265032
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate (CID 7221898) is (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate is O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate?
The InChIKey is BPGIJSMAJIRHJG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O5/c25-20(24-11-13-28-14-12-24)16-29-21(26)15-19(17-7-3-1-4-8-17)23-22(27)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,23,27)/t19-/m0/s1.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate?
(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate has a molecular weight of 396.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 7221898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).