N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate

C107H138Cl3N13O16Si — CID 157122081

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1cc(CC(=O)NO)c2ccccc21)c1ccccc1.CCCN(C(=O)Cn1cc(CC(=O)OC)c2ccccc21)c1ccccc1.CCN(CC)CC.NO.O=C(CO)Cc1c[nH]c2ccccc12.O=C(Cc1cn(CC(=O)N(CCO)c2ccccc2)c2ccccc12)NO.O=C(Cl)CCl
InChIInChI=1S/C22H24N2O3.C21H23N3O3.C20H21N3O4.C14H25NOSi.C11H14ClNO.C11H11NO2.C6H15N.C2H2Cl2O.H3NO/c1-3-13-24(18-9-5-4-6-10-18)21(25)16-23-15-17(14-22(26)27-2)19-11-7-8-12-20(19)23;1-2-12-24(17-8-4-3-5-9-17)21(26)15-23-14-16(13-20(25)22-27)18-10-6-7-11-19(18)23;24-11-10-23(16-6-2-1-3-7-16)20(26)14-22-13-15(12-19(25)21-27)17-8-4-5-9-18(17)22;1-14(2,3)17(4,5)16-12-11-15-13-9-7-6-8-10-13;1-2-8-13(11(14)9-12)10-6-4-3-5-7-10;13-7-9(14)5-8-6-12-11-4-2-1-3-10(8)11;1-4-7(5-2)6-3;3-1-2(4)5;1-2/h4-12,15H,3,13-14,16H2,1-2H3;3-11,14,27H,2,12-13,15H2,1H3,(H,22,25);1-9,13,24,27H,10-12,14H2,(H,21,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;1-4,6,12-13H,5,7H2;4-6H2,1-3H3;1H2;2H,1H2
InChIKeyAIBXEYUWAAJOKA-UHFFFAOYSA-N
MW1996.80 g/mol
LogP18.38
Rot. Bonds37

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate (PubChem CID 157122081) has the molecular formula C107H138Cl3N13O16Si and a molecular weight of 1996.80 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate
PubChem CID157122081
Molecular FormulaC107H138Cl3N13O16Si
Molecular Weight1996.80 g/mol
Exact Mass1993.92
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1cc(CC(=O)NO)c2ccccc21)c1ccccc1.CCCN(C(=O)Cn1cc(CC(=O)OC)c2ccccc21)c1ccccc1.CCN(CC)CC.NO.O=C(CO)Cc1c[nH]c2ccccc12.O=C(Cc1cn(CC(=O)N(CCO)c2ccccc2)c2ccccc12)NO.O=C(Cl)CCl
InChIInChI=1S/C22H24N2O3.C21H23N3O3.C20H21N3O4.C14H25NOSi.C11H14ClNO.C11H11NO2.C6H15N.C2H2Cl2O.H3NO/c1-3-13-24(18-9-5-4-6-10-18)21(25)16-23-15-17(14-22(26)27-2)19-11-7-8-12-20(19)23;1-2-12-24(17-8-4-3-5-9-17)21(26)15-23-14-16(13-20(25)22-27)18-10-6-7-11-19(18)23;24-11-10-23(16-6-2-1-3-7-16)20(26)14-22-13-15(12-19(25)21-27)17-8-4-5-9-18(17)22;1-14(2,3)17(4,5)16-12-11-15-13-9-7-6-8-10-13;1-2-8-13(11(14)9-12)10-6-4-3-5-7-10;13-7-9(14)5-8-6-12-11-4-2-1-3-10(8)11;1-4-7(5-2)6-3;3-1-2(4)5;1-2/h4-12,15H,3,13-14,16H2,1-2H3;3-11,14,27H,2,12-13,15H2,1H3,(H,22,25);1-9,13,24,27H,10-12,14H2,(H,21,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;1-4,6,12-13H,5,7H2;4-6H2,1-3H3;1H2;2H,1H2
InChIKeyAIBXEYUWAAJOKA-UHFFFAOYSA-N
XLogP18.38
TPSA382.13 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds37
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001996.80
LogP ≤ 518.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate (CID 157122081) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate is CC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1cc(CC(=O)NO)c2ccccc21)c1ccccc1.CCCN(C(=O)Cn1cc(CC(=O)OC)c2ccccc21)c1ccccc1.CCN(CC)CC.NO.O=C(CO)Cc1c[nH]c2ccccc12.O=C(Cc1cn(CC(=O)N(CCO)c2ccccc2)c2ccccc12)NO.O=C(Cl)CCl.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate?
The InChIKey is AIBXEYUWAAJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3.C21H23N3O3.C20H21N3O4.C14H25NOSi.C11H14ClNO.C11H11NO2.C6H15N.C2H2Cl2O.H3NO/c1-3-13-24(18-9-5-4-6-10-18)21(25)16-23-15-17(14-22(26)27-2)19-11-7-8-12-20(19)23;1-2-12-24(17-8-4-3-5-9-17)21(26)15-23-14-16(13-20(25)22-27)18-10-6-7-11-19(18)23;24-11-10-23(16-6-2-1-3-7-16)20(26)14-22-13-15(12-19(25)21-27)17-8-4-5-9-18(17)22;1-14(2,3)17(4,5)16-12-11-15-13-9-7-6-8-10-13;1-2-8-13(11(14)9-12)10-6-4-3-5-7-10;13-7-9(14)5-8-6-12-11-4-2-1-3-10(8)11;1-4-7(5-2)6-3;3-1-2(4)5;1-2/h4-12,15H,3,13-14,16H2,1-2H3;3-11,14,27H,2,12-13,15H2,1H3,(H,22,25);1-9,13,24,27H,10-12,14H2,(H,21,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;1-4,6,12-13H,5,7H2;4-6H2,1-3H3;1H2;2H,1H2.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate has a molecular weight of 1996.80 g/mol, XLogP of 18.38, 37 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-2-[1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indol-3-yl]acetamide;1-hydroxy-3-(1H-indol-3-yl)propan-2-one;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetamide;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-3-yl]acetate is sourced from PubChem (CID 157122081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).