N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate

C104H134Cl3N13O16Si — CID 157460447

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate
SMILESC.CC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1ccc2c(C(=O)NO)cccc21)c1ccccc1.CCCN(C(=O)Cn1ccc2c(C(=O)OC)cccc21)c1ccccc1.CCN(CC)CC.NO.O=C(CO)c1cccc2[nH]ccc12.O=C(Cl)CCl.O=C(NO)c1cccc2c1ccn2CC(=O)N(CCO)c1ccccc1
InChIInChI=1S/C21H22N2O3.C20H21N3O3.C19H19N3O4.C14H25NOSi.C11H14ClNO.C10H9NO2.C6H15N.C2H2Cl2O.CH4.H3NO/c1-3-13-23(16-8-5-4-6-9-16)20(24)15-22-14-12-17-18(21(25)26-2)10-7-11-19(17)22;1-2-12-23(15-7-4-3-5-8-15)19(24)14-22-13-11-16-17(20(25)21-26)9-6-10-18(16)22;23-12-11-22(14-5-2-1-3-6-14)18(24)13-21-10-9-15-16(19(25)20-26)7-4-8-17(15)21;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;12-6-10(13)8-2-1-3-9-7(8)4-5-11-9;1-4-7(5-2)6-3;3-1-2(4)5;;1-2/h4-12,14H,3,13,15H2,1-2H3;3-11,13,26H,2,12,14H2,1H3,(H,21,25);1-10,23,26H,11-13H2,(H,20,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;1-5,11-12H,6H2;4-6H2,1-3H3;1H2;1H4;2H,1H2
InChIKeyBTVZJSUTLFCHMF-UHFFFAOYSA-N
MW1956.74 g/mol
LogP19.30
Rot. Bonds33

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate (PubChem CID 157460447) has the molecular formula C104H134Cl3N13O16Si and a molecular weight of 1956.74 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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate.

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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate
PubChem CID157460447
Molecular FormulaC104H134Cl3N13O16Si
Molecular Weight1956.74 g/mol
Exact Mass1953.89
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate
SMILESC.CC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1ccc2c(C(=O)NO)cccc21)c1ccccc1.CCCN(C(=O)Cn1ccc2c(C(=O)OC)cccc21)c1ccccc1.CCN(CC)CC.NO.O=C(CO)c1cccc2[nH]ccc12.O=C(Cl)CCl.O=C(NO)c1cccc2c1ccn2CC(=O)N(CCO)c1ccccc1
InChIInChI=1S/C21H22N2O3.C20H21N3O3.C19H19N3O4.C14H25NOSi.C11H14ClNO.C10H9NO2.C6H15N.C2H2Cl2O.CH4.H3NO/c1-3-13-23(16-8-5-4-6-9-16)20(24)15-22-14-12-17-18(21(25)26-2)10-7-11-19(17)22;1-2-12-23(15-7-4-3-5-8-15)19(24)14-22-13-11-16-17(20(25)21-26)9-6-10-18(16)22;23-12-11-22(14-5-2-1-3-6-14)18(24)13-21-10-9-15-16(19(25)20-26)7-4-8-17(15)21;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;12-6-10(13)8-2-1-3-9-7(8)4-5-11-9;1-4-7(5-2)6-3;3-1-2(4)5;;1-2/h4-12,14H,3,13,15H2,1-2H3;3-11,13,26H,2,12,14H2,1H3,(H,21,25);1-10,23,26H,11-13H2,(H,20,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;1-5,11-12H,6H2;4-6H2,1-3H3;1H2;1H4;2H,1H2
InChIKeyBTVZJSUTLFCHMF-UHFFFAOYSA-N
XLogP19.30
TPSA382.13 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001956.74
LogP ≤ 519.30
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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate 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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate?
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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate (CID 157460447) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate.
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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate?
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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate is C.CC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1ccc2c(C(=O)NO)cccc21)c1ccccc1.CCCN(C(=O)Cn1ccc2c(C(=O)OC)cccc21)c1ccccc1.CCN(CC)CC.NO.O=C(CO)c1cccc2[nH]ccc12.O=C(Cl)CCl.O=C(NO)c1cccc2c1ccn2CC(=O)N(CCO)c1ccccc1.
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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate?
The InChIKey is BTVZJSUTLFCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.C20H21N3O3.C19H19N3O4.C14H25NOSi.C11H14ClNO.C10H9NO2.C6H15N.C2H2Cl2O.CH4.H3NO/c1-3-13-23(16-8-5-4-6-9-16)20(24)15-22-14-12-17-18(21(25)26-2)10-7-11-19(17)22;1-2-12-23(15-7-4-3-5-8-15)19(24)14-22-13-11-16-17(20(25)21-26)9-6-10-18(16)22;23-12-11-22(14-5-2-1-3-6-14)18(24)13-21-10-9-15-16(19(25)20-26)7-4-8-17(15)21;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;12-6-10(13)8-2-1-3-9-7(8)4-5-11-9;1-4-7(5-2)6-3;3-1-2(4)5;;1-2/h4-12,14H,3,13,15H2,1-2H3;3-11,13,26H,2,12,14H2,1H3,(H,21,25);1-10,23,26H,11-13H2,(H,20,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;1-5,11-12H,6H2;4-6H2,1-3H3;1H2;1H4;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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aniline;2-chloroacetyl chloride;2-chloro-N-phenyl-N-propylacetamide;N,N-diethylethanamine;N-hydroxy-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate has a molecular weight of 1956.74 g/mol, XLogP of 19.30, 33 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-1-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]indole-4-carboxamide;2-hydroxy-1-(1H-indol-4-yl)ethanone;hydroxylamine;N-hydroxy-1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxamide;methane;methyl 1-[2-oxo-2-(N-propylanilino)ethyl]indole-4-carboxylate is sourced from PubChem (CID 157460447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).