N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane

C154H200N20O20S — CID 158414961

IUPACN-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane
SMILESC.C.C.NS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.N[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.O=C(COc1cccc2c1CCCC2)NCC(O)CN1CCC2CCCCC2C1.O=C(COc1cccc2ccccc12)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1-c1ccn[nH]1)NC[C@@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H36N2O3.C24H26N2O3.C23H26N4O3.C20H25N3O5S.3C20H25N3O2.3CH4/c2*27-21(16-26-13-12-18-6-1-2-8-20(18)15-26)14-25-24(28)17-29-23-11-5-9-19-7-3-4-10-22(19)23;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;21-29(26,27)19-8-4-3-7-18(19)28-14-20(25)22-11-17(24)13-23-10-9-15-5-1-2-6-16(15)12-23;3*21-19(16-7-2-1-3-8-16)20(25)22-12-18(24)14-23-11-10-15-6-4-5-9-17(15)13-23;;;/h5,9,11,18,20-21,27H,1-4,6-8,10,12-17H2,(H,25,28);1-11,21,27H,12-17H2,(H,25,28);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27);3*1-9,18-19,24H,10-14,21H2,(H,22,25);3*1H4/t;;19-;;18-,19+;2*18-,19-;;;/m..1.110.../s1
InChIKeyGZTUEVASIHSSML-DWJQBPLQSA-N
MW2683.48 g/mol
LogP13.50
Rot. Bonds48

About N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane

N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane (PubChem CID 158414961) has the molecular formula C154H200N20O20S and a molecular weight of 2683.48 g/mol. Its IUPAC name is N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane.

Molecular Properties

Compound NameN-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane
PubChem CID158414961
Molecular FormulaC154H200N20O20S
Molecular Weight2683.48 g/mol
Exact Mass2681.50
IUPAC NameN-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane
SMILESC.C.C.NS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.N[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.O=C(COc1cccc2c1CCCC2)NCC(O)CN1CCC2CCCCC2C1.O=C(COc1cccc2ccccc12)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1-c1ccn[nH]1)NC[C@@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H36N2O3.C24H26N2O3.C23H26N4O3.C20H25N3O5S.3C20H25N3O2.3CH4/c2*27-21(16-26-13-12-18-6-1-2-8-20(18)15-26)14-25-24(28)17-29-23-11-5-9-19-7-3-4-10-22(19)23;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;21-29(26,27)19-8-4-3-7-18(19)28-14-20(25)22-11-17(24)13-23-10-9-15-5-1-2-6-16(15)12-23;3*21-19(16-7-2-1-3-8-16)20(25)22-12-18(24)14-23-11-10-15-6-4-5-9-17(15)13-23;;;/h5,9,11,18,20-21,27H,1-4,6-8,10,12-17H2,(H,25,28);1-11,21,27H,12-17H2,(H,25,28);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27);3*1-9,18-19,24H,10-14,21H2,(H,22,25);3*1H4/t;;19-;;18-,19+;2*18-,19-;;;/m..1.110.../s1
InChIKeyGZTUEVASIHSSML-DWJQBPLQSA-N
XLogP13.50
TPSA571.81 Ų
H-Bond Donors19
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002683.48
LogP ≤ 513.50
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1031

Analyze N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane with MolForge

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-[2-(dimethylamino)ethyl-methylsulfamoyl]phenoxy]acetamide
CID 123353082
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenoxy)acetamide
CID 90328740
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 90328743
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylpiperidin-3-yl)-3-(methylsulfonylmethyl)phenoxy]acetamide
CID 118547120
2-(2-cyclohexylphenoxy)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(dimethylamino)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(methanesulfonamido)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-sulfamoylphenoxy)acetamide
CID 161061324
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-[(3S)-piperidin-3-yl]phenoxy]acetamide
CID 118547138
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(methanesulfonamido)-2-(1-propan-2-ylpiperidin-3-yl)phenoxy]acetamide
CID 118547142
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(1H-imidazol-2-yl)phenoxy]acetamide
CID 123469784
N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide
CID 76902417
(2R)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
CID 90241579
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[4-(1-hydroxyethylamino)-3-pyridinyl]oxy]acetamide
CID 138482577
1-[2-(4-acetylpiperazin-1-yl)sulfonylphenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one
CID 157203019

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane?
The IUPAC name of N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane (CID 158414961) is N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane.
What is the SMILES notation for N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane?
The canonical SMILES for N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane is C.C.C.NS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.N[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1.N[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1.O=C(COc1cccc2c1CCCC2)NCC(O)CN1CCC2CCCCC2C1.O=C(COc1cccc2ccccc12)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1-c1ccn[nH]1)NC[C@@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane?
The InChIKey is GZTUEVASIHSSML-DWJQBPLQSA-N. The full InChI is InChI=1S/C24H36N2O3.C24H26N2O3.C23H26N4O3.C20H25N3O5S.3C20H25N3O2.3CH4/c2*27-21(16-26-13-12-18-6-1-2-8-20(18)15-26)14-25-24(28)17-29-23-11-5-9-19-7-3-4-10-22(19)23;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;21-29(26,27)19-8-4-3-7-18(19)28-14-20(25)22-11-17(24)13-23-10-9-15-5-1-2-6-16(15)12-23;3*21-19(16-7-2-1-3-8-16)20(25)22-12-18(24)14-23-11-10-15-6-4-5-9-17(15)13-23;;;/h5,9,11,18,20-21,27H,1-4,6-8,10,12-17H2,(H,25,28);1-11,21,27H,12-17H2,(H,25,28);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27);3*1-9,18-19,24H,10-14,21H2,(H,22,25);3*1H4/t;;19-;;18-,19+;2*18-,19-;;;/m..1.110.../s1.
What are the key properties of N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane?
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane has a molecular weight of 2683.48 g/mol, XLogP of 13.50, 48 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide;(2S)-2-amino-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2S)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;(2R)-2-amino-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-sulfamoylphenoxy)acetamide;methane is sourced from PubChem (CID 158414961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).