methyl 3-phenyl-3-(tritylamino)propanoate

C29H27NO2 — CID 23067176

IUPACmethyl 3-phenyl-3-(tritylamino)propanoate
SMILESCOC(=O)CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27NO2/c1-32-28(31)22-27(23-14-6-2-7-15-23)30-29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,30H,22H2,1H3
InChIKeyYAZVAUNDIOFCMO-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.87
Rot. Bonds8

About methyl 3-phenyl-3-(tritylamino)propanoate

methyl 3-phenyl-3-(tritylamino)propanoate (PubChem CID 23067176) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is methyl 3-phenyl-3-(tritylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-(tritylamino)propanoate
PubChem CID23067176
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Namemethyl 3-phenyl-3-(tritylamino)propanoate
SMILESCOC(=O)CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27NO2/c1-32-28(31)22-27(23-14-6-2-7-15-23)30-29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,30H,22H2,1H3
InChIKeyYAZVAUNDIOFCMO-UHFFFAOYSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-(tritylamino)propanoate?
The IUPAC name of methyl 3-phenyl-3-(tritylamino)propanoate (CID 23067176) is methyl 3-phenyl-3-(tritylamino)propanoate.
What is the SMILES notation for methyl 3-phenyl-3-(tritylamino)propanoate?
The canonical SMILES for methyl 3-phenyl-3-(tritylamino)propanoate is COC(=O)CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-3-(tritylamino)propanoate?
The InChIKey is YAZVAUNDIOFCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-32-28(31)22-27(23-14-6-2-7-15-23)30-29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27,30H,22H2,1H3.
What are the key properties of methyl 3-phenyl-3-(tritylamino)propanoate?
methyl 3-phenyl-3-(tritylamino)propanoate has a molecular weight of 421.54 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-(tritylamino)propanoate is sourced from PubChem (CID 23067176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).