N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide

C93H124FN5O7 — CID 90882576

IUPACN-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC1C2CC3CC1CC(C2)C3(CC(=O)N1CCOCC1)c1ccccc1.CC1C2CC3CC1CC(C2)C3(CC(=O)NCC(C)(C)C)c1ccccc1.CC1C2CC3CC1CC(C2)C3(CC(=O)NCc1ccccn1)c1ccccc1.COC1CC2CCCC(C1)C2(CC(=O)N1CC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C25H30N2O.C24H35NO.C23H31NO2.C21H28FNO3/c1-17-18-11-21-13-19(17)14-22(12-18)25(21,20-7-3-2-4-8-20)15-24(28)27-16-23-9-5-6-10-26-23;1-16-17-10-20-12-18(16)13-21(11-17)24(20,19-8-6-5-7-9-19)14-22(26)25-15-23(2,3)4;1-16-17-11-20-13-18(16)14-21(12-17)23(20,19-5-3-2-4-6-19)15-22(25)24-7-9-26-10-8-24;1-26-19-9-15-3-2-4-16(10-19)21(15,14-5-7-17(22)8-6-14)11-20(25)23-12-18(24)13-23/h2-10,17-19,21-22H,11-16H2,1H3,(H,27,28);5-9,16-18,20-21H,10-15H2,1-4H3,(H,25,26);2-6,16-18,20-21H,7-15H2,1H3;5-8,15-16,18-19,24H,2-4,9-13H2,1H3
InChIKeyGOYDXYQHQOJBFG-UHFFFAOYSA-N
MW1443.04 g/mol
LogP16.66
Rot. Bonds16

About N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide

N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 90882576) has the molecular formula C93H124FN5O7 and a molecular weight of 1443.04 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID90882576
Molecular FormulaC93H124FN5O7
Molecular Weight1443.04 g/mol
Exact Mass1441.95
IUPAC NameN-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC1C2CC3CC1CC(C2)C3(CC(=O)N1CCOCC1)c1ccccc1.CC1C2CC3CC1CC(C2)C3(CC(=O)NCC(C)(C)C)c1ccccc1.CC1C2CC3CC1CC(C2)C3(CC(=O)NCc1ccccn1)c1ccccc1.COC1CC2CCCC(C1)C2(CC(=O)N1CC(O)C1)c1ccc(F)cc1
InChIInChI=1S/C25H30N2O.C24H35NO.C23H31NO2.C21H28FNO3/c1-17-18-11-21-13-19(17)14-22(12-18)25(21,20-7-3-2-4-8-20)15-24(28)27-16-23-9-5-6-10-26-23;1-16-17-10-20-12-18(16)13-21(11-17)24(20,19-8-6-5-7-9-19)14-22(26)25-15-23(2,3)4;1-16-17-11-20-13-18(16)14-21(12-17)23(20,19-5-3-2-4-6-19)15-22(25)24-7-9-26-10-8-24;1-26-19-9-15-3-2-4-16(10-19)21(15,14-5-7-17(22)8-6-14)11-20(25)23-12-18(24)13-23/h2-10,17-19,21-22H,11-16H2,1H3,(H,27,28);5-9,16-18,20-21H,10-15H2,1-4H3,(H,25,26);2-6,16-18,20-21H,7-15H2,1H3;5-8,15-16,18-19,24H,2-4,9-13H2,1H3
InChIKeyGOYDXYQHQOJBFG-UHFFFAOYSA-N
XLogP16.66
TPSA150.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001443.04
LogP ≤ 516.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide (CID 90882576) is N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide is CC1C2CC3CC1CC(C2)C3(CC(=O)N1CCOCC1)c1ccccc1.CC1C2CC3CC1CC(C2)C3(CC(=O)NCC(C)(C)C)c1ccccc1.CC1C2CC3CC1CC(C2)C3(CC(=O)NCc1ccccn1)c1ccccc1.COC1CC2CCCC(C1)C2(CC(=O)N1CC(O)C1)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GOYDXYQHQOJBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O.C24H35NO.C23H31NO2.C21H28FNO3/c1-17-18-11-21-13-19(17)14-22(12-18)25(21,20-7-3-2-4-8-20)15-24(28)27-16-23-9-5-6-10-26-23;1-16-17-10-20-12-18(16)13-21(11-17)24(20,19-8-6-5-7-9-19)14-22(26)25-15-23(2,3)4;1-16-17-11-20-13-18(16)14-21(12-17)23(20,19-5-3-2-4-6-19)15-22(25)24-7-9-26-10-8-24;1-26-19-9-15-3-2-4-16(10-19)21(15,14-5-7-17(22)8-6-14)11-20(25)23-12-18(24)13-23/h2-10,17-19,21-22H,11-16H2,1H3,(H,27,28);5-9,16-18,20-21H,10-15H2,1-4H3,(H,25,26);2-6,16-18,20-21H,7-15H2,1H3;5-8,15-16,18-19,24H,2-4,9-13H2,1H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 1443.04 g/mol, XLogP of 16.66, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(6-methyl-2-phenyl-2-adamantyl)acetamide;2-[9-(4-fluorophenyl)-3-methoxy-9-bicyclo[3.3.1]nonanyl]-1-(3-hydroxyazetidin-1-yl)ethanone;2-(6-methyl-2-phenyl-2-adamantyl)-1-morpholin-4-ylethanone;2-(6-methyl-2-phenyl-2-adamantyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 90882576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).