2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate

C15H24N2O3Si — CID 174027277

IUPAC2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate
SMILESC[Si](C)(C)CCOC(=O)NCC(C(N)=O)c1ccccc1
InChIInChI=1S/C15H24N2O3Si/c1-21(2,3)10-9-20-15(19)17-11-13(14(16)18)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyMOQFIKSLIDENRB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.32
Rot. Bonds7

About 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate

2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate (PubChem CID 174027277) has the molecular formula C15H24N2O3Si and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate
PubChem CID174027277
Molecular FormulaC15H24N2O3Si
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate
SMILESC[Si](C)(C)CCOC(=O)NCC(C(N)=O)c1ccccc1
InChIInChI=1S/C15H24N2O3Si/c1-21(2,3)10-9-20-15(19)17-11-13(14(16)18)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyMOQFIKSLIDENRB-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenylbutanamide
CID 139147476
2-trimethylsilylethyl N-[(1S)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15421860
pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 2057392
3-chloro-2-phenylpropanamide
CID 123321549
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
CID 57222453
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 20626808
2-trimethylsilylethyl N-[(4-bromo-2-hydroxyphenyl)methyl]carbamate
CID 171525659
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
2-phenylheptanamide
CID 67221214
ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
CID 120990918

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate?
The IUPAC name of 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate (CID 174027277) is 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate is C[Si](C)(C)CCOC(=O)NCC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate?
The InChIKey is MOQFIKSLIDENRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3Si/c1-21(2,3)10-9-20-15(19)17-11-13(14(16)18)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate?
2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate has a molecular weight of 308.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate is sourced from PubChem (CID 174027277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).