ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate

C20H32BrNO4Si — CID 67483090

IUPACethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(C(Br)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H32BrNO4Si/c1-8-25-19(24)14(2)22-18(23)16-11-9-15(10-12-16)17(21)13-26-27(6,7)20(3,4)5/h9-12,14,17H,8,13H2,1-7H3,(H,22,23)
InChIKeyGRCNIGGXJSLPSR-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.83
Rot. Bonds8

About ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate

ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate (PubChem CID 67483090) has the molecular formula C20H32BrNO4Si and a molecular weight of 458.47 g/mol. Its IUPAC name is ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate
PubChem CID67483090
Molecular FormulaC20H32BrNO4Si
Molecular Weight458.47 g/mol
Exact Mass457.13
IUPAC Nameethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(C(Br)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H32BrNO4Si/c1-8-25-19(24)14(2)22-18(23)16-11-9-15(10-12-16)17(21)13-26-27(6,7)20(3,4)5/h9-12,14,17H,8,13H2,1-7H3,(H,22,23)
InChIKeyGRCNIGGXJSLPSR-UHFFFAOYSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
ethyl 2-[[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzoyl]amino]propanoate
CID 119806775
ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 61343512
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
ethyl (2R)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 94779819
ethyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpentanoate
CID 102382083
propyl 2-benzamidopropanoate
CID 71628004
ethyl 2-[[4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]benzoyl]amino]propanoate
CID 119806767
(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate?
The IUPAC name of ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate (CID 67483090) is ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(C(Br)CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate?
The InChIKey is GRCNIGGXJSLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BrNO4Si/c1-8-25-19(24)14(2)22-18(23)16-11-9-15(10-12-16)17(21)13-26-27(6,7)20(3,4)5/h9-12,14,17H,8,13H2,1-7H3,(H,22,23).
What are the key properties of ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate?
ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate has a molecular weight of 458.47 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[1-bromo-2-[tert-butyl(dimethyl)silyl]oxyethyl]benzoyl]amino]propanoate is sourced from PubChem (CID 67483090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).