methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate

C18H31NO3Si — CID 54470392

IUPACmethyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
SMILESCOC(=O)CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C18H31NO3Si/c1-18(2,3)23(5,6)22-13-12-19(15-17(20)21-4)14-16-10-8-7-9-11-16/h7-11H,12-15H2,1-6H3
InChIKeyXHXXQNGNRZEIBN-UHFFFAOYSA-N
MW337.54 g/mol
LogP3.68
Rot. Bonds8

About methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate

methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate (PubChem CID 54470392) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
PubChem CID54470392
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Namemethyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
SMILESCOC(=O)CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C18H31NO3Si/c1-18(2,3)23(5,6)22-13-12-19(15-17(20)21-4)14-16-10-8-7-9-11-16/h7-11H,12-15H2,1-6H3
InChIKeyXHXXQNGNRZEIBN-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
[tert-butyl(dimethyl)silyl] 2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate
CID 91743862
methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]-2-[[bis(2-methoxy-2-oxoethyl)amino]methyl]-3-(dibenzylamino)propyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 67493893
2-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetic acid
CID 18751403
methyl 2-[benzyl(prop-2-ynyl)amino]acetate
CID 87487327
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
CID 142841781
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate (CID 54470392) is methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate is COC(=O)CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate?
The InChIKey is XHXXQNGNRZEIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-18(2,3)23(5,6)22-13-12-19(15-17(20)21-4)14-16-10-8-7-9-11-16/h7-11H,12-15H2,1-6H3.
What are the key properties of methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate?
methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate has a molecular weight of 337.54 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]acetate is sourced from PubChem (CID 54470392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).