N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide

C43H44N2O3Si — CID 134839898

IUPACN-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/[C@@H](c1ccccc1)N(C(=O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C43H44N2O3Si/c1-49(2,3)48-43(36-24-13-6-14-25-36,37-26-15-7-16-27-37)40-30-19-32-44(40)33-31-39(34-20-9-4-10-21-34)45(38-28-17-8-18-29-38)42(47)41(46)35-22-11-5-12-23-35/h4-18,20-29,31,33,39-40H,19,30,32H2,1-3H3/b33-31+/t39-,40-/m0/s1
InChIKeyJPRNQMZWFUIBKQ-AEBMVVNPSA-N
MW664.92 g/mol
LogP9.42
Rot. Bonds12

About N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide

N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide (PubChem CID 134839898) has the molecular formula C43H44N2O3Si and a molecular weight of 664.92 g/mol. Its IUPAC name is N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide
PubChem CID134839898
Molecular FormulaC43H44N2O3Si
Molecular Weight664.92 g/mol
Exact Mass664.31
IUPAC NameN-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/[C@@H](c1ccccc1)N(C(=O)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C43H44N2O3Si/c1-49(2,3)48-43(36-24-13-6-14-25-36,37-26-15-7-16-27-37)40-30-19-32-44(40)33-31-39(34-20-9-4-10-21-34)45(38-28-17-8-18-29-38)42(47)41(46)35-22-11-5-12-23-35/h4-18,20-29,31,33,39-40H,19,30,32H2,1-3H3/b33-31+/t39-,40-/m0/s1
InChIKeyJPRNQMZWFUIBKQ-AEBMVVNPSA-N
XLogP9.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.92
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide 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 N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide?
The IUPAC name of N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide (CID 134839898) is N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide.
What is the SMILES notation for N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide?
The canonical SMILES for N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide is C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/[C@@H](c1ccccc1)N(C(=O)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide?
The InChIKey is JPRNQMZWFUIBKQ-AEBMVVNPSA-N. The full InChI is InChI=1S/C43H44N2O3Si/c1-49(2,3)48-43(36-24-13-6-14-25-36,37-26-15-7-16-27-37)40-30-19-32-44(40)33-31-39(34-20-9-4-10-21-34)45(38-28-17-8-18-29-38)42(47)41(46)35-22-11-5-12-23-35/h4-18,20-29,31,33,39-40H,19,30,32H2,1-3H3/b33-31+/t39-,40-/m0/s1.
What are the key properties of N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide?
N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide has a molecular weight of 664.92 g/mol, XLogP of 9.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide is sourced from PubChem (CID 134839898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).