N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide

C122H132N14O11S — CID 157116762

IUPACN-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCOC2)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C22H26N2O2.C21H24N2O2.C21H22N2O2.C20H21N3O.C19H19N3O.C19H20N2O3S/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;2*1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19;1-15(24)22-19-8-9-20-18(13-19)3-2-12-23(20)14-17-6-4-16(5-7-17)10-11-21;1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20;1-14(22)20-18-7-8-19-17(11-18)9-10-21(19)12-15-3-5-16(6-4-15)13-25(2,23)24/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);2-7,12,19H,8-11,13-14H2,1H3,(H,22,24);2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24);4-9,13H,2-3,10,12,14H2,1H3,(H,22,24);2-7,12H,8-9,11,13H2,1H3,(H,21,23);3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyAHMOXULGOSLHQI-UHFFFAOYSA-N
MW2002.55 g/mol
LogP22.44
Rot. Bonds25

About N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide

N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide (PubChem CID 157116762) has the molecular formula C122H132N14O11S and a molecular weight of 2002.55 g/mol. Its IUPAC name is N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide
PubChem CID157116762
Molecular FormulaC122H132N14O11S
Molecular Weight2002.55 g/mol
Exact Mass2000.99
IUPAC NameN-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCOC2)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C22H26N2O2.C21H24N2O2.C21H22N2O2.C20H21N3O.C19H19N3O.C19H20N2O3S/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;2*1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19;1-15(24)22-19-8-9-20-18(13-19)3-2-12-23(20)14-17-6-4-16(5-7-17)10-11-21;1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20;1-14(22)20-18-7-8-19-17(11-18)9-10-21(19)12-15-3-5-16(6-4-15)13-25(2,23)24/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);2-7,12,19H,8-11,13-14H2,1H3,(H,22,24);2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24);4-9,13H,2-3,10,12,14H2,1H3,(H,22,24);2-7,12H,8-9,11,13H2,1H3,(H,21,23);3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyAHMOXULGOSLHQI-UHFFFAOYSA-N
XLogP22.44
TPSA306.83 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002002.55
LogP ≤ 522.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide with MolForge

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Related Compounds

methyl N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]carbamate;N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[(4-propylphenyl)methyl]indol-5-yl]cyclopropanecarboxamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
CID 157393464
N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
CID 158528483
N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;1-methyl-3-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]urea;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]propanamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 159057068
4-[(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]-2-[methyl-[2-methyl-1-(1-methylpyridin-1-ium-4-yl)propoxy]carbonylamino]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]-2-[methyl-[1-(1-methylpyridin-1-ium-4-yl)ethoxycarbonyl]amino]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;4-[(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]-2-[methyl-[(1-methylquinolin-1-ium-4-yl)methoxycarbonyl]amino]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;ethane
CID 160419958
N-[1-[[4-(1-methoxyethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide;N-methyl-N-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]acetamide;1-methyl-3-[1-[(4-propan-2-ylphenyl)methyl]indol-5-yl]urea;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 162155090

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide (CID 157116762) is N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C2CCCO2)cc1.CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C2CCOC2)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(CC#N)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(CS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
The InChIKey is AHMOXULGOSLHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C21H24N2O2.C21H22N2O2.C20H21N3O.C19H19N3O.C19H20N2O3S/c1-16(25)23-20-10-11-21-19(14-20)4-2-12-24(21)15-17-6-8-18(9-7-17)22-5-3-13-26-22;2*1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19;1-15(24)22-19-8-9-20-18(13-19)3-2-12-23(20)14-17-6-4-16(5-7-17)10-11-21;1-14(23)21-18-6-7-19-17(12-18)9-11-22(19)13-16-4-2-15(3-5-16)8-10-20;1-14(22)20-18-7-8-19-17(11-18)9-10-21(19)12-15-3-5-16(6-4-15)13-25(2,23)24/h6-11,14,22H,2-5,12-13,15H2,1H3,(H,23,25);2-7,12,19H,8-11,13-14H2,1H3,(H,22,24);2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24);4-9,13H,2-3,10,12,14H2,1H3,(H,22,24);2-7,12H,8-9,11,13H2,1H3,(H,21,23);3-11H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide has a molecular weight of 2002.55 g/mol, XLogP of 22.44, 25 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(cyanomethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(methylsulfonylmethyl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(oxolan-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide is sourced from PubChem (CID 157116762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).