bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate

C157H205ClN14O40 — CID 161178742

IUPACbis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate
SMILESC=CCOC(=O)Cl.C=CCOC(=O)NC[C@@H](Cc1coc2ccccc12)NC(=O)OC(C)(C)C.C=CCOC(=O)NC[C@H](N)Cc1coc2ccccc12.CC#N.CC#N.CC(C)(C)OC(=O)N[C@@H](CN)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@@H](CO)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@@H](CO)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@H](Cc1coc2ccccc12)CN1C(=O)c2ccccc2C1=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.N[C@@H](CO)Cc1coc2ccccc12.N[C@@H](CO)Cc1coc2ccccc12
InChIInChI=1S/C24H24N2O5.C20H26N2O5.C16H22N2O3.2C16H21NO4.C15H18N2O3.2C11H13NO2.2C10H18O5.C4H5ClO2.2C2H3N/c1-24(2,3)31-23(29)25-16(12-15-14-30-20-11-7-6-8-17(15)20)13-26-21(27)18-9-4-5-10-19(18)22(26)28;1-5-10-25-18(23)21-12-15(22-19(24)27-20(2,3)4)11-14-13-26-17-9-7-6-8-16(14)17;1-16(2,3)21-15(19)18-12(9-17)8-11-10-20-14-7-5-4-6-13(11)14;2*1-16(2,3)21-15(19)17-12(9-18)8-11-10-20-14-7-5-4-6-13(11)14;1-2-7-19-15(18)17-9-12(16)8-11-10-20-14-6-4-3-5-13(11)14;2*12-9(6-13)5-8-7-14-11-4-2-1-3-10(8)11;2*1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-3-7-4(5)6;2*1-2-3/h4-11,14,16H,12-13H2,1-3H3,(H,25,29);5-9,13,15H,1,10-12H2,2-4H3,(H,21,23)(H,22,24);4-7,10,12H,8-9,17H2,1-3H3,(H,18,19);2*4-7,10,12,18H,8-9H2,1-3H3,(H,17,19);2-6,10,12H,1,7-9,16H2,(H,17,18);2*1-4,7,9,13H,5-6,12H2;2*1-6H3;2H,1,3H2;2*1H3/t16-;15-;4*12-;2*9-;;;;;/m11111111...../s1
InChIKeyUSDWPVABVZJZMT-ZYUHDDEESA-N
MW2963.88 g/mol
LogP29.65
Rot. Bonds38

About bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate

bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate (PubChem CID 161178742) has the molecular formula C157H205ClN14O40 and a molecular weight of 2963.88 g/mol. Its IUPAC name is bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate.

Molecular Properties

Compound Namebis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate
PubChem CID161178742
Molecular FormulaC157H205ClN14O40
Molecular Weight2963.88 g/mol
Exact Mass2961.41
IUPAC Namebis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate
SMILESC=CCOC(=O)Cl.C=CCOC(=O)NC[C@@H](Cc1coc2ccccc12)NC(=O)OC(C)(C)C.C=CCOC(=O)NC[C@H](N)Cc1coc2ccccc12.CC#N.CC#N.CC(C)(C)OC(=O)N[C@@H](CN)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@@H](CO)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@@H](CO)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@H](Cc1coc2ccccc12)CN1C(=O)c2ccccc2C1=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.N[C@@H](CO)Cc1coc2ccccc12.N[C@@H](CO)Cc1coc2ccccc12
InChIInChI=1S/C24H24N2O5.C20H26N2O5.C16H22N2O3.2C16H21NO4.C15H18N2O3.2C11H13NO2.2C10H18O5.C4H5ClO2.2C2H3N/c1-24(2,3)31-23(29)25-16(12-15-14-30-20-11-7-6-8-17(15)20)13-26-21(27)18-9-4-5-10-19(18)22(26)28;1-5-10-25-18(23)21-12-15(22-19(24)27-20(2,3)4)11-14-13-26-17-9-7-6-8-16(14)17;1-16(2,3)21-15(19)18-12(9-17)8-11-10-20-14-7-5-4-6-13(11)14;2*1-16(2,3)21-15(19)17-12(9-18)8-11-10-20-14-7-5-4-6-13(11)14;1-2-7-19-15(18)17-9-12(16)8-11-10-20-14-6-4-3-5-13(11)14;2*12-9(6-13)5-8-7-14-11-4-2-1-3-10(8)11;2*1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-3-7-4(5)6;2*1-2-3/h4-11,14,16H,12-13H2,1-3H3,(H,25,29);5-9,13,15H,1,10-12H2,2-4H3,(H,21,23)(H,22,24);4-7,10,12H,8-9,17H2,1-3H3,(H,18,19);2*4-7,10,12,18H,8-9H2,1-3H3,(H,17,19);2-6,10,12H,1,7-9,16H2,(H,17,18);2*1-4,7,9,13H,5-6,12H2;2*1-6H3;2H,1,3H2;2*1H3/t16-;15-;4*12-;2*9-;;;;;/m11111111...../s1
InChIKeyUSDWPVABVZJZMT-ZYUHDDEESA-N
XLogP29.65
TPSA793.35 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.88
LogP ≤ 529.65
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate with MolForge

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Related Compounds

bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);ethanol;hydrazine;methane;prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate;hydrate
CID 159441533
tert-butyl N-[(2S)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;prop-2-enyl N-[(2S)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate
CID 159239866
tert-butyl N-[(2S)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate
CID 140937790
prop-2-enyl N-[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 140937778
tert-butyl N-[3-(1,3-dioxoisoindol-2-yl)-2-(methoxycarbonylamino)propyl]carbamate
CID 170234733
methane;prop-2-enyl N-[(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propyl]carbamate;prop-2-enyl N-[(2S)-3-(5-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 161390184
tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propan-2-yl]carbamate
CID 69164075
prop-2-enyl N-[2-[(1,3-dioxoisoindol-2-yl)methyl]-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 11048583
tert-butyl (2S)-2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate;hydrochloride
CID 127255651
propane-1,2-diamine;prop-2-enyl N-(1-aminopropan-2-yl)carbamate;prop-2-enyl carbonochloridate;prop-2-enyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate
CID 160550270
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]carbamate
CID 174995453
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate?
The IUPAC name of bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate (CID 161178742) is bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate.
What is the SMILES notation for bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate?
The canonical SMILES for bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate is C=CCOC(=O)Cl.C=CCOC(=O)NC[C@@H](Cc1coc2ccccc12)NC(=O)OC(C)(C)C.C=CCOC(=O)NC[C@H](N)Cc1coc2ccccc12.CC#N.CC#N.CC(C)(C)OC(=O)N[C@@H](CN)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@@H](CO)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@@H](CO)Cc1coc2ccccc12.CC(C)(C)OC(=O)N[C@H](Cc1coc2ccccc12)CN1C(=O)c2ccccc2C1=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.N[C@@H](CO)Cc1coc2ccccc12.N[C@@H](CO)Cc1coc2ccccc12.
What is the InChIKey of bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate?
The InChIKey is USDWPVABVZJZMT-ZYUHDDEESA-N. The full InChI is InChI=1S/C24H24N2O5.C20H26N2O5.C16H22N2O3.2C16H21NO4.C15H18N2O3.2C11H13NO2.2C10H18O5.C4H5ClO2.2C2H3N/c1-24(2,3)31-23(29)25-16(12-15-14-30-20-11-7-6-8-17(15)20)13-26-21(27)18-9-4-5-10-19(18)22(26)28;1-5-10-25-18(23)21-12-15(22-19(24)27-20(2,3)4)11-14-13-26-17-9-7-6-8-16(14)17;1-16(2,3)21-15(19)18-12(9-17)8-11-10-20-14-7-5-4-6-13(11)14;2*1-16(2,3)21-15(19)17-12(9-18)8-11-10-20-14-7-5-4-6-13(11)14;1-2-7-19-15(18)17-9-12(16)8-11-10-20-14-6-4-3-5-13(11)14;2*12-9(6-13)5-8-7-14-11-4-2-1-3-10(8)11;2*1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-3-7-4(5)6;2*1-2-3/h4-11,14,16H,12-13H2,1-3H3,(H,25,29);5-9,13,15H,1,10-12H2,2-4H3,(H,21,23)(H,22,24);4-7,10,12H,8-9,17H2,1-3H3,(H,18,19);2*4-7,10,12,18H,8-9H2,1-3H3,(H,17,19);2-6,10,12H,1,7-9,16H2,(H,17,18);2*1-4,7,9,13H,5-6,12H2;2*1-6H3;2H,1,3H2;2*1H3/t16-;15-;4*12-;2*9-;;;;;/m11111111...../s1.
What are the key properties of bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate?
bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate has a molecular weight of 2963.88 g/mol, XLogP of 29.65, 38 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis((2R)-2-amino-3-(1-benzofuran-3-yl)propan-1-ol);tert-butyl N-[(2R)-1-amino-3-(1-benzofuran-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate;bis(tert-butyl N-[(2R)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate);bis(tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate);prop-2-enyl N-[(2R)-2-amino-3-(1-benzofuran-3-yl)propyl]carbamate;prop-2-enyl N-[(2R)-3-(1-benzofuran-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;prop-2-enyl carbonochloridate is sourced from PubChem (CID 161178742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).