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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate

C107H138Cl3N13O16Si — CID 159118456

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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1ccc2c(CC(=O)NO)cccc21)c1ccccc1.CCCN(C(=O)Cn1ccc2c(CC(=O)OC)cccc21)c1ccccc1.CCN(CC)CC.COC(=O)Cc1cccc2[nH]ccc12.NO.O=C(Cc1cccc2c1ccn2CC(=O)N(CCO)c1ccccc1)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)16-23-14-12-19-17(15-22(26)27-2)8-7-11-20(19)23;1-2-12-24(17-8-4-3-5-9-17)21(26)15-23-13-11-18-16(14-20(25)22-27)7-6-10-19(18)23;24-12-11-23(16-6-2-1-3-7-16)20(26)14-22-10-9-17-15(13-19(25)21-27)5-4-8-18(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;1-14-11(13)7-8-3-2-4-10-9(8)5-6-12-10;1-4-7(5-2)6-3;3-1-2(4)5;1-2/h4-12,14H,3,13,15-16H2,1-2H3;3-11,13,27H,2,12,14-15H2,1H3,(H,22,25);1-10,24,27H,11-14H2,(H,21,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;2-6,12H,7H2,1H3;4-6H2,1-3H3;1H2;2H,1H2
InChIKeyKFJNSDZUOURXQU-UHFFFAOYSA-N
MW1996.80 g/mol
LogP18.99
Rot. Bonds36

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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate (PubChem CID 159118456) 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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate
PubChem CID159118456
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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1ccc2c(CC(=O)NO)cccc21)c1ccccc1.CCCN(C(=O)Cn1ccc2c(CC(=O)OC)cccc21)c1ccccc1.CCN(CC)CC.COC(=O)Cc1cccc2[nH]ccc12.NO.O=C(Cc1cccc2c1ccn2CC(=O)N(CCO)c1ccccc1)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)16-23-14-12-19-17(15-22(26)27-2)8-7-11-20(19)23;1-2-12-24(17-8-4-3-5-9-17)21(26)15-23-13-11-18-16(14-20(25)22-27)7-6-10-19(18)23;24-12-11-23(16-6-2-1-3-7-16)20(26)14-22-10-9-17-15(13-19(25)21-27)5-4-8-18(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;1-14-11(13)7-8-3-2-4-10-9(8)5-6-12-10;1-4-7(5-2)6-3;3-1-2(4)5;1-2/h4-12,14H,3,13,15-16H2,1-2H3;3-11,13,27H,2,12,14-15H2,1H3,(H,22,25);1-10,24,27H,11-14H2,(H,21,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;2-6,12H,7H2,1H3;4-6H2,1-3H3;1H2;2H,1H2
InChIKeyKFJNSDZUOURXQU-UHFFFAOYSA-N
XLogP18.99
TPSA371.13 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001996.80
LogP ≤ 518.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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'}

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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate (CID 159118456) 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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate is CC(C)(C)[Si](C)(C)OCCNc1ccccc1.CCCN(C(=O)CCl)c1ccccc1.CCCN(C(=O)Cn1ccc2c(CC(=O)NO)cccc21)c1ccccc1.CCCN(C(=O)Cn1ccc2c(CC(=O)OC)cccc21)c1ccccc1.CCN(CC)CC.COC(=O)Cc1cccc2[nH]ccc12.NO.O=C(Cc1cccc2c1ccn2CC(=O)N(CCO)c1ccccc1)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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate?
The InChIKey is KFJNSDZUOURXQU-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)16-23-14-12-19-17(15-22(26)27-2)8-7-11-20(19)23;1-2-12-24(17-8-4-3-5-9-17)21(26)15-23-13-11-18-16(14-20(25)22-27)7-6-10-19(18)23;24-12-11-23(16-6-2-1-3-7-16)20(26)14-22-10-9-17-15(13-19(25)21-27)5-4-8-18(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;1-14-11(13)7-8-3-2-4-10-9(8)5-6-12-10;1-4-7(5-2)6-3;3-1-2(4)5;1-2/h4-12,14H,3,13,15-16H2,1-2H3;3-11,13,27H,2,12,14-15H2,1H3,(H,22,25);1-10,24,27H,11-14H2,(H,21,25);6-10,15H,11-12H2,1-5H3;3-7H,2,8-9H2,1H3;2-6,12H,7H2,1H3;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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate has a molecular weight of 1996.80 g/mol, XLogP of 18.99, 36 rotatable bonds, 9 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-4-yl]acetamide;hydroxylamine;N-hydroxy-2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetamide;methyl 2-(1H-indol-4-yl)acetate;methyl 2-[1-[2-oxo-2-(N-propylanilino)ethyl]indol-4-yl]acetate is sourced from PubChem (CID 159118456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).