[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate

C22H26N2O4 — CID 7132820

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@H](CC(=O)OCC(=O)N(c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-16(2)24(19-12-8-5-9-13-19)21(26)15-28-22(27)14-20(23-17(3)25)18-10-6-4-7-11-18/h4-13,16,20H,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyLBOGPPJDPUQHDO-HXUWFJFHSA-N
MW382.46 g/mol
LogP3.24
Rot. Bonds8

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate (PubChem CID 7132820) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
PubChem CID7132820
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@H](CC(=O)OCC(=O)N(c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-16(2)24(19-12-8-5-9-13-19)21(26)15-28-22(27)14-20(23-17(3)25)18-10-6-4-7-11-18/h4-13,16,20H,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyLBOGPPJDPUQHDO-HXUWFJFHSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-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-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 5039727
[2-(4-tert-butylanilino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132855

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate (CID 7132820) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate is CC(=O)N[C@H](CC(=O)OCC(=O)N(c1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate?
The InChIKey is LBOGPPJDPUQHDO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16(2)24(19-12-8-5-9-13-19)21(26)15-28-22(27)14-20(23-17(3)25)18-10-6-4-7-11-18/h4-13,16,20H,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate has a molecular weight of 382.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate is sourced from PubChem (CID 7132820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).