methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate

C30H44N2O4Si — CID 20823428

IUPACmethyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(C(=O)Nc1ccccc1CO[Si](C)(C)C(C)(C)C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C30H44N2O4Si/c1-30(2,3)37(5,6)36-21-24-19-13-14-20-25(24)31-28(33)26(22-15-9-7-10-16-22)32-27(29(34)35-4)23-17-11-8-12-18-23/h8,11-14,17-20,22,26-27,32H,7,9-10,15-16,21H2,1-6H3,(H,31,33)
InChIKeyJEXSOYVCBIPKLW-UHFFFAOYSA-N
MW524.78 g/mol
LogP6.60
Rot. Bonds10

About methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate

methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate (PubChem CID 20823428) has the molecular formula C30H44N2O4Si and a molecular weight of 524.78 g/mol. Its IUPAC name is methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate
PubChem CID20823428
Molecular FormulaC30H44N2O4Si
Molecular Weight524.78 g/mol
Exact Mass524.31
IUPAC Namemethyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(C(=O)Nc1ccccc1CO[Si](C)(C)C(C)(C)C)C1CCCCC1)c1ccccc1
InChIInChI=1S/C30H44N2O4Si/c1-30(2,3)37(5,6)36-21-24-19-13-14-20-25(24)31-28(33)26(22-15-9-7-10-16-22)32-27(29(34)35-4)23-17-11-8-12-18-23/h8,11-14,17-20,22,26-27,32H,7,9-10,15-16,21H2,1-6H3,(H,31,33)
InChIKeyJEXSOYVCBIPKLW-UHFFFAOYSA-N
XLogP6.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.78
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate with MolForge

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Related Compounds

methyl (2S)-2-[[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-oxobutan-2-yl]amino]-2-phenylacetate
CID 11259968
2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid
CID 103247940
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate
CID 11796759
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate
CID 78993355
[(3S,6R)-6-[[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-oxo-3-phenylpropan-2-yl]-formylamino]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
CID 135003541
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
benzyl (3S)-3-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-4-methylpentanoate
CID 59137199

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate (CID 20823428) is methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate is COC(=O)C(NC(C(=O)Nc1ccccc1CO[Si](C)(C)C(C)(C)C)C1CCCCC1)c1ccccc1.
What is the InChIKey of methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate?
The InChIKey is JEXSOYVCBIPKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4Si/c1-30(2,3)37(5,6)36-21-24-19-13-14-20-25(24)31-28(33)26(22-15-9-7-10-16-22)32-27(29(34)35-4)23-17-11-8-12-18-23/h8,11-14,17-20,22,26-27,32H,7,9-10,15-16,21H2,1-6H3,(H,31,33).
What are the key properties of methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate?
methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate has a molecular weight of 524.78 g/mol, XLogP of 6.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-cyclohexyl-2-oxoethyl]amino]-2-phenylacetate is sourced from PubChem (CID 20823428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).