N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide

C28H30N2O3 — CID 11247724

IUPACN-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide
SMILESCC(C)(C)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C28H30N2O3/c1-28(2,3)25(22-15-9-5-10-16-22)30(26(31)23-17-11-6-12-18-23)29-24(20-33-27(29)32)19-21-13-7-4-8-14-21/h4-18,24-25H,19-20H2,1-3H3/t24-,25+/m0/s1
InChIKeyYBLJSJKIUSDIME-LOSJGSFVSA-N
MW442.56 g/mol
LogP5.89
Rot. Bonds6

About N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide

N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide (PubChem CID 11247724) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide
PubChem CID11247724
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide
SMILESCC(C)(C)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C28H30N2O3/c1-28(2,3)25(22-15-9-5-10-16-22)30(26(31)23-17-11-6-12-18-23)29-24(20-33-27(29)32)19-21-13-7-4-8-14-21/h4-18,24-25H,19-20H2,1-3H3/t24-,25+/m0/s1
InChIKeyYBLJSJKIUSDIME-LOSJGSFVSA-N
XLogP5.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide 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

[(2S)-2-acetamido-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
CID 46222163
N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]benzamide
CID 89827465
1-Oxa-4-azaspiro[4.5]decane, 4-[4-(1,1-dimethylethyl)benzoyl]-
CID 335167
[(2S)-2-benzamidopropyl] (2R)-2-benzamido-3-phenylpropanoate
CID 57391369
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-acetamido-3-phenylpropanoate
CID 57391379
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-benzamidopropanoate
CID 57393126
[(2R)-2-benzamidopropyl] (2R)-2-benzamido-3-phenylpropanoate
CID 57393127
[(2S)-2-acetamido-3-phenylpropyl] (2R)-2-benzamido-3-phenylpropanoate
CID 57393140
[(2S)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate
CID 57396629
[(2R)-2-benzamidopropyl] (2S)-2-benzamido-3-phenylpropanoate
CID 57396630
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-acetamido-3-phenylpropanoate
CID 57396636
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamidopropanoate
CID 57398394

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide?
The IUPAC name of N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide (CID 11247724) is N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide is CC(C)(C)[C@@H](c1ccccc1)N(C(=O)c1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide?
The InChIKey is YBLJSJKIUSDIME-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-28(2,3)25(22-15-9-5-10-16-22)30(26(31)23-17-11-6-12-18-23)29-24(20-33-27(29)32)19-21-13-7-4-8-14-21/h4-18,24-25H,19-20H2,1-3H3/t24-,25+/m0/s1.
What are the key properties of N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide?
N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-N-[(1S)-2,2-dimethyl-1-phenylpropyl]benzamide is sourced from PubChem (CID 11247724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).