N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane

C231H362N14O8S5 — CID 159259419

IUPACN-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane
SMILESCC.CC.CC.CC.CC.CC(=O)NC1C2CC3CC(C2)CC1C3.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.Cc1ccc(CC(=O)CC2C3CC4CC(C3)CC2C4)cc1.O=C(Cc1ccccc1)CC1C2CC3CC(C2)CC1C3.O=C(NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1ccccc1.c1ccc2oc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(CC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1cnc2oc(CC3C4CC5CC(C4)CC3C5)nc2c1
InChIInChI=1S/C20H26O.C19H24O.C18H21NS.C17H22N2O3S.2C17H20N2O.3C17H20N2S.C12H19NO.10C5H12.5C2H6/c1-13-2-4-14(5-3-13)11-19(21)12-20-17-7-15-6-16(9-17)10-18(20)8-15;20-18(11-13-4-2-1-3-5-13)12-19-16-7-14-6-15(9-16)10-17(19)8-14;1-2-4-17-16(3-1)19-18(20-17)10-15-13-6-11-5-12(8-13)9-14(15)7-11;20-17(19-23(21,22)15-4-2-1-3-5-15)18-16-13-7-11-6-12(9-13)10-14(16)8-11;1-2-15-17(18-3-1)20-16(19-15)9-14-12-5-10-4-11(7-12)8-13(14)6-10;4*1-2-4-15-14(3-1)18-17(20-15)19-16-12-6-10-5-11(8-12)9-13(16)7-10;1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8;10*1-5(2,3)4;5*1-2/h2-5,15-18,20H,6-12H2,1H3;1-5,14-17,19H,6-12H2;1-4,11-15H,5-10H2;1-5,11-14,16H,6-10H2,(H2,18,19,20);1-3,10-14H,4-9H2;4*1-4,10-13,16H,5-9H2,(H,18,19);8-12H,2-6H2,1H3,(H,13,14);10*1-4H3;5*1-2H3
InChIKeyKWHXYNKDTKIYMK-UHFFFAOYSA-N
MW3623.86 g/mol
LogP65.34
Rot. Bonds24

About N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane

N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane (PubChem CID 159259419) has the molecular formula C231H362N14O8S5 and a molecular weight of 3623.86 g/mol. Its IUPAC name is N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane.

Molecular Properties

Compound NameN-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane
PubChem CID159259419
Molecular FormulaC231H362N14O8S5
Molecular Weight3623.86 g/mol
Exact Mass3620.70
IUPAC NameN-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane
SMILESCC.CC.CC.CC.CC.CC(=O)NC1C2CC3CC(C2)CC1C3.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.Cc1ccc(CC(=O)CC2C3CC4CC(C3)CC2C4)cc1.O=C(Cc1ccccc1)CC1C2CC3CC(C2)CC1C3.O=C(NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1ccccc1.c1ccc2oc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(CC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1cnc2oc(CC3C4CC5CC(C4)CC3C5)nc2c1
InChIInChI=1S/C20H26O.C19H24O.C18H21NS.C17H22N2O3S.2C17H20N2O.3C17H20N2S.C12H19NO.10C5H12.5C2H6/c1-13-2-4-14(5-3-13)11-19(21)12-20-17-7-15-6-16(9-17)10-18(20)8-15;20-18(11-13-4-2-1-3-5-13)12-19-16-7-14-6-15(9-16)10-17(19)8-14;1-2-4-17-16(3-1)19-18(20-17)10-15-13-6-11-5-12(8-13)9-14(15)7-11;20-17(19-23(21,22)15-4-2-1-3-5-15)18-16-13-7-11-6-12(9-13)10-14(16)8-11;1-2-15-17(18-3-1)20-16(19-15)9-14-12-5-10-4-11(7-12)8-13(14)6-10;4*1-2-4-15-14(3-1)18-17(20-15)19-16-12-6-10-5-11(8-12)9-13(16)7-10;1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8;10*1-5(2,3)4;5*1-2/h2-5,15-18,20H,6-12H2,1H3;1-5,14-17,19H,6-12H2;1-4,11-15H,5-10H2;1-5,11-14,16H,6-10H2,(H2,18,19,20);1-3,10-14H,4-9H2;4*1-4,10-13,16H,5-9H2,(H,18,19);8-12H,2-6H2,1H3,(H,13,14);10*1-4H3;5*1-2H3
InChIKeyKWHXYNKDTKIYMK-UHFFFAOYSA-N
XLogP65.34
TPSA303.14 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003623.86
LogP ≤ 565.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane with MolForge

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Related Compounds

2-[2-(1H-benzimidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[2-(1,3-benzothiazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzoxazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3H-indol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3H-pyrrol-2-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 157074433
1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane
CID 157247174
2-[3,5-Bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 157391481
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-[(7Z)-1,7-dimethyl-9-oxo-2,6-dihydro-1,3,5-triazonin-5-yl]acetamide;2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide;tris(2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 157786196
2-[2-(1,3-benzoxazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[2-(1H-imidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-1,3-benzothiazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(6-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 157801683
4a,8a-dihydro-1H-naphthalen-2-one;4-(4-aminophenyl)aniline;4-[2-(4-aminophenyl)ethenyl]aniline;4-[2-[4-[2-(4-aminophenyl)ethenyl]phenyl]ethenyl]aniline;9H-carbazole-3,6-diamine;1,3-dihydroimidazol-2-one;4,5-dihydro-1H-pyrazole;5,5-dioxodibenzothiophene-3,7-diamine;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylidenebenzo[de]isoquinolin-1-one;2-methyl-1H-imidazole;pyrene
CID 157853422
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 158391468
N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;1-(2-adamantyl)-3-pyridin-3-ylpropan-2-one;decakis(2,2-dimethylpropane);ethane
CID 158581768
2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzoxazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-indol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(2-methylindol-1-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(4-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione
CID 158762439
pentakis(N-tert-butyl-1,3-benzothiazol-2-amine);2-tert-butyl-1,3-benzothiazole;hexakis(N-tert-butyl-1,3-benzoxazol-2-amine);2-tert-butyl-1,3-benzoxazole;bis(N-tert-butyl-[1,3]oxazolo[5,4-b]pyridin-2-amine);2-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;ethane;methane
CID 159184892
2-[6-(1,3-Benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[4-(2,3,5,6-tetrafluoro-4-isocyanophenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzothiazol-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-3-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-[4-methyl-2,6-bis(trideuteriomethyl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 159263132
2-[2-(1H-benzimidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[2-(1,3-benzothiazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzoxazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3H-indol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3H-pyrrol-2-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 159289979

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane?
The IUPAC name of N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane (CID 159259419) is N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane.
What is the SMILES notation for N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane?
The canonical SMILES for N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane is CC.CC.CC.CC.CC.CC(=O)NC1C2CC3CC(C2)CC1C3.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.Cc1ccc(CC(=O)CC2C3CC4CC(C3)CC2C4)cc1.O=C(Cc1ccccc1)CC1C2CC3CC(C2)CC1C3.O=C(NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1ccccc1.c1ccc2oc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(CC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1ccc2sc(NC3C4CC5CC(C4)CC3C5)nc2c1.c1cnc2oc(CC3C4CC5CC(C4)CC3C5)nc2c1.
What is the InChIKey of N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane?
The InChIKey is KWHXYNKDTKIYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O.C19H24O.C18H21NS.C17H22N2O3S.2C17H20N2O.3C17H20N2S.C12H19NO.10C5H12.5C2H6/c1-13-2-4-14(5-3-13)11-19(21)12-20-17-7-15-6-16(9-17)10-18(20)8-15;20-18(11-13-4-2-1-3-5-13)12-19-16-7-14-6-15(9-16)10-17(19)8-14;1-2-4-17-16(3-1)19-18(20-17)10-15-13-6-11-5-12(8-13)9-14(15)7-11;20-17(19-23(21,22)15-4-2-1-3-5-15)18-16-13-7-11-6-12(9-13)10-14(16)8-11;1-2-15-17(18-3-1)20-16(19-15)9-14-12-5-10-4-11(7-12)8-13(14)6-10;4*1-2-4-15-14(3-1)18-17(20-15)19-16-12-6-10-5-11(8-12)9-13(16)7-10;1-7(14)13-12-10-3-8-2-9(5-10)6-11(12)4-8;10*1-5(2,3)4;5*1-2/h2-5,15-18,20H,6-12H2,1H3;1-5,14-17,19H,6-12H2;1-4,11-15H,5-10H2;1-5,11-14,16H,6-10H2,(H2,18,19,20);1-3,10-14H,4-9H2;4*1-4,10-13,16H,5-9H2,(H,18,19);8-12H,2-6H2,1H3,(H,13,14);10*1-4H3;5*1-2H3.
What are the key properties of N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane?
N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane has a molecular weight of 3623.86 g/mol, XLogP of 65.34, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;tris(N-(2-adamantyl)-1,3-benzothiazol-2-amine);N-(2-adamantyl)-1,3-benzoxazol-2-amine;2-(2-adamantylmethyl)-1,3-benzothiazole;2-(2-adamantylmethyl)-[1,3]oxazolo[5,4-b]pyridine;1-(2-adamantyl)-3-(4-methylphenyl)propan-2-one;1-(2-adamantyl)-3-phenylpropan-2-one;decakis(2,2-dimethylpropane);ethane is sourced from PubChem (CID 159259419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).