diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate

C31H39NO5Si — CID 139768392

IUPACdiethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate
SMILESCCOC(=O)C(N)(CCc1ccc(OCCC[Si](C)(c2ccccc2)c2ccccc2)cc1)C(=O)OCC
InChIInChI=1S/C31H39NO5Si/c1-4-35-29(33)31(32,30(34)36-5-2)22-21-25-17-19-26(20-18-25)37-23-12-24-38(3,27-13-8-6-9-14-27)28-15-10-7-11-16-28/h6-11,13-20H,4-5,12,21-24,32H2,1-3H3
InChIKeyMWHKEIMFLGCURC-UHFFFAOYSA-N
MW533.74 g/mol
LogP4.10
Rot. Bonds14

About diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate

diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate (PubChem CID 139768392) has the molecular formula C31H39NO5Si and a molecular weight of 533.74 g/mol. Its IUPAC name is diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate
PubChem CID139768392
Molecular FormulaC31H39NO5Si
Molecular Weight533.74 g/mol
Exact Mass533.26
IUPAC Namediethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate
SMILESCCOC(=O)C(N)(CCc1ccc(OCCC[Si](C)(c2ccccc2)c2ccccc2)cc1)C(=O)OCC
InChIInChI=1S/C31H39NO5Si/c1-4-35-29(33)31(32,30(34)36-5-2)22-21-25-17-19-26(20-18-25)37-23-12-24-38(3,27-13-8-6-9-14-27)28-15-10-7-11-16-28/h6-11,13-20H,4-5,12,21-24,32H2,1-3H3
InChIKeyMWHKEIMFLGCURC-UHFFFAOYSA-N
XLogP4.10
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate 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

diethyl 2-amino-2-(2-phenylethyl)propanedioate
CID 142661399
diethyl 2-acetamido-2-[2-[4-[4-[dimethyl(phenyl)silyl]butoxy]phenyl]ethyl]propanedioate
CID 139768269
diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate
CID 139768355
diethyl 2-amino-2-[2-[4-[5-[butyl(dimethyl)silyl]pentyl]phenyl]ethyl]propanedioate
CID 139768282
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258
diethyl 2-amino-2-[2-[4-[5-[dimethyl(3,3,3-trifluoropropyl)silyl]pentyl]phenyl]ethyl]propanedioate
CID 139768114
2-ethoxycarbonyl-4-(4-heptoxyphenyl)-2-methylbutanoic acid
CID 10690152
diethyl 2-acetamido-2-[2-[4-(7-trimethylsilylheptoxy)phenyl]ethyl]propanedioate
CID 139768327
diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate
CID 10812754
ethyl 2,2-difluoro-5-phenoxypentanoate
CID 163363293
diethyl 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioate;2-ethoxycarbonyl-2-[2-(4-heptoxyphenyl)ethyl]hexanoic acid
CID 70146121
2-amino-2-[2-[4-[3-[benzyl(dimethyl)silyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 139768331

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate?
The IUPAC name of diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate (CID 139768392) is diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate.
What is the SMILES notation for diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate?
The canonical SMILES for diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate is CCOC(=O)C(N)(CCc1ccc(OCCC[Si](C)(c2ccccc2)c2ccccc2)cc1)C(=O)OCC.
What is the InChIKey of diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate?
The InChIKey is MWHKEIMFLGCURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO5Si/c1-4-35-29(33)31(32,30(34)36-5-2)22-21-25-17-19-26(20-18-25)37-23-12-24-38(3,27-13-8-6-9-14-27)28-15-10-7-11-16-28/h6-11,13-20H,4-5,12,21-24,32H2,1-3H3.
What are the key properties of diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate?
diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate has a molecular weight of 533.74 g/mol, XLogP of 4.10, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-2-[2-[4-[3-[methyl(diphenyl)silyl]propoxy]phenyl]ethyl]propanedioate is sourced from PubChem (CID 139768392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).