(2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide

C27H34N2O2Si — CID 70800039

IUPAC(2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide
SMILESCC(C)(C)[Si](OCCNC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O2Si/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-19-29-26(30)25(28)21-22-13-7-4-8-14-22/h4-18,25H,19-21,28H2,1-3H3,(H,29,30)/t25-/m0/s1
InChIKeyVTMVBHPPTOZHJW-VWLOTQADSA-N
MW446.67 g/mol
LogP3.25
Rot. Bonds9

About (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide (PubChem CID 70800039) has the molecular formula C27H34N2O2Si and a molecular weight of 446.67 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide
PubChem CID70800039
Molecular FormulaC27H34N2O2Si
Molecular Weight446.67 g/mol
Exact Mass446.24
IUPAC Name(2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide
SMILESCC(C)(C)[Si](OCCNC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N2O2Si/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-19-29-26(30)25(28)21-22-13-7-4-8-14-22/h4-18,25H,19-21,28H2,1-3H3,(H,29,30)/t25-/m0/s1
InChIKeyVTMVBHPPTOZHJW-VWLOTQADSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.67
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide (CID 70800039) is (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide is CC(C)(C)[Si](OCCNC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide?
The InChIKey is VTMVBHPPTOZHJW-VWLOTQADSA-N. The full InChI is InChI=1S/C27H34N2O2Si/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-19-29-26(30)25(28)21-22-13-7-4-8-14-22/h4-18,25H,19-21,28H2,1-3H3,(H,29,30)/t25-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide has a molecular weight of 446.67 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-phenylpropanamide is sourced from PubChem (CID 70800039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).