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

C230H359N13O8S5 — CID 158581768

IUPACN-(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
SMILESCC.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(Cc1cccnc1)CC1C2CC3CC(C2)CC1C3.O=C(NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1ccccc1.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.C18H23NO.C18H21NS.C17H22N2O3S.C17H20N2O.3C17H20N2S.C12H19NO.10C5H12.4C2H6/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;20-17(9-12-2-1-3-19-11-12)10-18-15-5-13-4-14(7-15)8-16(18)6-13;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;3*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;4*1-2/h2-5,15-18,20H,6-12H2,1H3;1-5,14-17,19H,6-12H2;1-3,11,13-16,18H,4-10H2;1-4,11-15H,5-10H2;1-5,11-14,16H,6-10H2,(H2,18,19,20);1-3,10-14H,4-9H2;3*1-4,10-13,16H,5-9H2,(H,18,19);8-12H,2-6H2,1H3,(H,13,14);10*1-4H3;4*1-2H3
InChIKeyHTIKMKZNGQRYJM-UHFFFAOYSA-N
MW3594.82 g/mol
LogP63.91
Rot. Bonds26

About 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

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 (PubChem CID 158581768) has the molecular formula C230H359N13O8S5 and a molecular weight of 3594.82 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);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.

Molecular Properties

Compound NameN-(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
PubChem CID158581768
Molecular FormulaC230H359N13O8S5
Molecular Weight3594.82 g/mol
Exact Mass3591.67
IUPAC NameN-(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
SMILESCC.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(Cc1cccnc1)CC1C2CC3CC(C2)CC1C3.O=C(NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1ccccc1.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.C18H23NO.C18H21NS.C17H22N2O3S.C17H20N2O.3C17H20N2S.C12H19NO.10C5H12.4C2H6/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;20-17(9-12-2-1-3-19-11-12)10-18-15-5-13-4-14(7-15)8-16(18)6-13;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;3*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;4*1-2/h2-5,15-18,20H,6-12H2,1H3;1-5,14-17,19H,6-12H2;1-3,11,13-16,18H,4-10H2;1-4,11-15H,5-10H2;1-5,11-14,16H,6-10H2,(H2,18,19,20);1-3,10-14H,4-9H2;3*1-4,10-13,16H,5-9H2,(H,18,19);8-12H,2-6H2,1H3,(H,13,14);10*1-4H3;4*1-2H3
InChIKeyHTIKMKZNGQRYJM-UHFFFAOYSA-N
XLogP63.91
TPSA295.04 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003594.82
LogP ≤ 563.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 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 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
N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexanecarbonyl]phenyl]prop-2-enamide;N-[1-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexanecarbonyl]piperidin-4-yl]prop-2-enamide;N-[6-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-pyridinyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]sulfanylphenyl]prop-2-enamide
CID 157839478
3-Phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 158056862
3-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide;2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;6-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-oxazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenyl-3H-pyrrole-2-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylthiophene-2-carboxamide
CID 158197427
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
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
3-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide;2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;6-methyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-oxazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-3H-pyrrole-4-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide;N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylthiophene-2-carboxamide
CID 159334898
(5E)-5-[[4-[3-[1,3-benzothiazol-2-yl(methyl)amino]propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[3-[1,3-benzoxazol-2-yl(methyl)amino]propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 159547507
N-(2-adamantyl)acetamide;1-(2-adamantyl)-3-(benzenesulfonyl)urea;bis(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;nonakis(2,2-dimethylpropane);ethane
CID 159808135
2-[4-[4,6-Bis[2-methyl-4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[4-[3,5-bis[2,3,5,6-tetramethyl-4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[2,5-dimethyl-3,4,6-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 160073974
3-Phenyl-2-[4-[tris[4-(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]methyl]phenyl]imidazo[4,5-b]pyrazine;3-phenyl-2-[4-[tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]methyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]methyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 160262375
2-[4-[[4-(1,2-Dihydro-[1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine;3-phenyl-2-[4-[2,4,5-tris[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;2-[4-[tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]methyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-[4-[2,4,5-tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine;2-[2,4,5-tris([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 160381500

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);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?
The IUPAC name of 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) is 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.
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);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?
The canonical SMILES for 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 is 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(Cc1cccnc1)CC1C2CC3CC(C2)CC1C3.O=C(NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1ccccc1.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);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?
The InChIKey is HTIKMKZNGQRYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O.C19H24O.C18H23NO.C18H21NS.C17H22N2O3S.C17H20N2O.3C17H20N2S.C12H19NO.10C5H12.4C2H6/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;20-17(9-12-2-1-3-19-11-12)10-18-15-5-13-4-14(7-15)8-16(18)6-13;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;3*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;4*1-2/h2-5,15-18,20H,6-12H2,1H3;1-5,14-17,19H,6-12H2;1-3,11,13-16,18H,4-10H2;1-4,11-15H,5-10H2;1-5,11-14,16H,6-10H2,(H2,18,19,20);1-3,10-14H,4-9H2;3*1-4,10-13,16H,5-9H2,(H,18,19);8-12H,2-6H2,1H3,(H,13,14);10*1-4H3;4*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);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?
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 has a molecular weight of 3594.82 g/mol, XLogP of 63.91, 26 rotatable bonds, 6 hydrogen bond donors, and 22 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);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 is sourced from PubChem (CID 158581768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).