4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine

C177H231N13O13S — CID 158449954

IUPAC4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)NCCN2CCOCC2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2cnccc12.CC(C)c1ccccn1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1cnn(C)c1.COc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1.Cc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H24N2O2.C16H16O.C16H18.C15H16O.C14H21NO4S.C14H19NO2.C13H21N3.C13H19NO.C12H13N.C12H14.C11H14O.C10H13NO.C8H11N.C7H12N2/c1-13(2)14-3-5-15(6-4-14)16(19)17-7-8-18-9-11-20-12-10-18;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-11(2)12-4-5-13(18-3)14(10-12)20(16,17)15-6-8-19-9-7-15;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7/h3-6,13H,7-12H2,1-2H3,(H,17,19);3-12H,1-2H3;4-12H,1-3H3;3-12H,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-6,11H,7-10H2,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3,5-9H,4H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;4-6H,1-3H3
InChIKeyHDVYABPFORGKNZ-UHFFFAOYSA-N
MW2780.94 g/mol
LogP39.17
Rot. Bonds30

About 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine

4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine (PubChem CID 158449954) has the molecular formula C177H231N13O13S and a molecular weight of 2780.94 g/mol. Its IUPAC name is 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine
PubChem CID158449954
Molecular FormulaC177H231N13O13S
Molecular Weight2780.94 g/mol
Exact Mass2778.75
IUPAC Name4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)NCCN2CCOCC2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2cnccc12.CC(C)c1ccccn1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1cnn(C)c1.COc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1.Cc1ccc(-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H24N2O2.C16H16O.C16H18.C15H16O.C14H21NO4S.C14H19NO2.C13H21N3.C13H19NO.C12H13N.C12H14.C11H14O.C10H13NO.C8H11N.C7H12N2/c1-13(2)14-3-5-15(6-4-14)16(19)17-7-8-18-9-11-20-12-10-18;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-11(2)12-4-5-13(18-3)14(10-12)20(16,17)15-6-8-19-9-7-15;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7/h3-6,13H,7-12H2,1-2H3,(H,17,19);3-12H,1-2H3;4-12H,1-3H3;3-12H,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-6,11H,7-10H2,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3,5-9H,4H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;4-6H,1-3H3
InChIKeyHDVYABPFORGKNZ-UHFFFAOYSA-N
XLogP39.17
TPSA281.01 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002780.94
LogP ≤ 539.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-phenylphenyl)methanone);[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 158328525
1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-imidazo[1,2-a]pyridin-7-ylmethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-isoquinolin-1-ylmethanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(7-methylnaphthalen-1-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 158774228
1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;2-methoxy-5-propan-2-ylpyridine;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;[(Z)-4-methylpent-2-en-2-yl]benzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 159042742
[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-phenylphenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 159263347
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-methoxyphenyl)-2-methylpropan-1-one;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-phenylphenyl)methanone);[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 161416542
8-[4-(dimethylamino-methylidene-oxo-lambda6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-(ethylaminomethyl)-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;4-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N-dimethylbenzamide;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]pyrido[3,4-d]pyridazin-8-yl]-N,N-dimethylpyridine-2-sulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylamino-methylidene-oxo-lambda6-sulfanyl)phenyl]pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(methylaminomethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine
CID 165035489
8-[4-(amino-methylidene-oxo-lambda6-sulfanyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-[(dimethylamino)methyl]-2,3-dimethylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;8-[4-[(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrido[3,4-d]pyridazin-5-amine;5-[8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]phthalazin-5-yl]-N,N,4-trimethylpyridine-2-carboxamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)pyrido[3,4-d]pyridazin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrido[3,4-d]pyridazin-5-amine
CID 165064753

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine?
The IUPAC name of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine (CID 158449954) is 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine.
What is the SMILES notation for 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine?
The canonical SMILES for 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine is CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(C(=O)NCCN2CCOCC2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2cnccc12.CC(C)c1ccccn1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1cnn(C)c1.COc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1.Cc1ccc(-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine?
The InChIKey is HDVYABPFORGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C16H16O.C16H18.C15H16O.C14H21NO4S.C14H19NO2.C13H21N3.C13H19NO.C12H13N.C12H14.C11H14O.C10H13NO.C8H11N.C7H12N2/c1-13(2)14-3-5-15(6-4-14)16(19)17-7-8-18-9-11-20-12-10-18;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-11(2)12-4-5-13(18-3)14(10-12)20(16,17)15-6-8-19-9-7-15;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7/h3-6,13H,7-12H2,1-2H3,(H,17,19);3-12H,1-2H3;4-12H,1-3H3;3-12H,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-6,11H,7-10H2,1-2H3;4-5,10-11H,6-9H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3,5-9H,4H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H2,11,12);3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine?
4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine has a molecular weight of 2780.94 g/mol, XLogP of 39.17, 30 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-propan-2-ylphenyl)sulfonylmorpholine;1-methyl-4-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;N-(2-morpholin-4-ylethyl)-4-propan-2-ylbenzamide;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;1-phenoxy-3-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-ylbenzamide;7-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indene;5-propan-2-ylisoquinoline;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine is sourced from PubChem (CID 158449954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).