7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C172H180F4N18O24 — CID 158639640

IUPAC7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC(=O)C(C)(C)COc1ccc(-c2ccc3c(c2)OCCN3C(=O)Nc2ccccc2)cn1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccccc3)cn2)CC1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cn2)CC1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cn2)CC1.CCC1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OC4CCC(C(C)=O)CC4)nc3)cc2O1.CCc1ccccc1NC(=O)N1CCOc2cc(-c3ccc(OC4CCC(C(C)=O)CC4)nc3)ccc21
InChIInChI=1S/2C30H33N3O4.C29H27F4N3O4.C29H31N3O4.C28H29N3O4.C26H27N3O4/c1-3-21-6-4-5-7-26(21)32-30(35)33-16-17-36-28-18-23(10-14-27(28)33)24-11-15-29(31-19-24)37-25-12-8-22(9-13-25)20(2)34;1-3-25-19-33(30(35)32-24-7-5-4-6-8-24)27-15-11-22(17-28(27)36-25)23-12-16-29(31-18-23)37-26-13-9-21(10-14-26)20(2)34;1-17(37)18-2-7-22(8-3-18)40-27-11-5-20(16-34-27)19-4-10-25-26(14-19)39-13-12-36(25)28(38)35-24-9-6-21(30)15-23(24)29(31,32)33;1-19-18-32(29(34)31-24-6-4-3-5-7-24)26-14-10-22(16-27(26)35-19)23-11-15-28(30-17-23)36-25-12-8-21(9-13-25)20(2)33;1-19(32)20-7-11-24(12-8-20)35-27-14-10-22(18-29-27)21-9-13-25-26(17-21)34-16-15-31(25)28(33)30-23-5-3-2-4-6-23;1-18(30)26(2,3)17-33-24-12-10-20(16-27-24)19-9-11-22-23(15-19)32-14-13-29(22)25(31)28-21-7-5-4-6-8-21/h4-7,10-11,14-15,18-19,22,25H,3,8-9,12-13,16-17H2,1-2H3,(H,32,35);4-8,11-12,15-18,21,25-26H,3,9-10,13-14,19H2,1-2H3,(H,32,35);4-6,9-11,14-16,18,22H,2-3,7-8,12-13H2,1H3,(H,35,38);3-7,10-11,14-17,19,21,25H,8-9,12-13,18H2,1-2H3,(H,31,34);2-6,9-10,13-14,17-18,20,24H,7-8,11-12,15-16H2,1H3,(H,30,33);4-12,15-16H,13-14,17H2,1-3H3,(H,28,31)
InChIKeyIAFFSRAGEQZRQT-UHFFFAOYSA-N
MW2959.43 g/mol
LogP36.59
Rot. Bonds33

About 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 158639640) has the molecular formula C172H180F4N18O24 and a molecular weight of 2959.43 g/mol. Its IUPAC name is 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID158639640
Molecular FormulaC172H180F4N18O24
Molecular Weight2959.43 g/mol
Exact Mass2957.34
IUPAC Name7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC(=O)C(C)(C)COc1ccc(-c2ccc3c(c2)OCCN3C(=O)Nc2ccccc2)cn1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccccc3)cn2)CC1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cn2)CC1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cn2)CC1.CCC1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OC4CCC(C(C)=O)CC4)nc3)cc2O1.CCc1ccccc1NC(=O)N1CCOc2cc(-c3ccc(OC4CCC(C(C)=O)CC4)nc3)ccc21
InChIInChI=1S/2C30H33N3O4.C29H27F4N3O4.C29H31N3O4.C28H29N3O4.C26H27N3O4/c1-3-21-6-4-5-7-26(21)32-30(35)33-16-17-36-28-18-23(10-14-27(28)33)24-11-15-29(31-19-24)37-25-12-8-22(9-13-25)20(2)34;1-3-25-19-33(30(35)32-24-7-5-4-6-8-24)27-15-11-22(17-28(27)36-25)23-12-16-29(31-18-23)37-26-13-9-21(10-14-26)20(2)34;1-17(37)18-2-7-22(8-3-18)40-27-11-5-20(16-34-27)19-4-10-25-26(14-19)39-13-12-36(25)28(38)35-24-9-6-21(30)15-23(24)29(31,32)33;1-19-18-32(29(34)31-24-6-4-3-5-7-24)26-14-10-22(16-27(26)35-19)23-11-15-28(30-17-23)36-25-12-8-21(9-13-25)20(2)33;1-19(32)20-7-11-24(12-8-20)35-27-14-10-22(18-29-27)21-9-13-25-26(17-21)34-16-15-31(25)28(33)30-23-5-3-2-4-6-23;1-18(30)26(2,3)17-33-24-12-10-20(16-27-24)19-9-11-22-23(15-19)32-14-13-29(22)25(31)28-21-7-5-4-6-8-21/h4-7,10-11,14-15,18-19,22,25H,3,8-9,12-13,16-17H2,1-2H3,(H,32,35);4-8,11-12,15-18,21,25-26H,3,9-10,13-14,19H2,1-2H3,(H,32,35);4-6,9-11,14-16,18,22H,2-3,7-8,12-13H2,1H3,(H,35,38);3-7,10-11,14-17,19,21,25H,8-9,12-13,18H2,1-2H3,(H,31,34);2-6,9-10,13-14,17-18,20,24H,7-8,11-12,15-16H2,1H3,(H,30,33);4-12,15-16H,13-14,17H2,1-3H3,(H,28,31)
InChIKeyIAFFSRAGEQZRQT-UHFFFAOYSA-N
XLogP36.59
TPSA484.56 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002959.43
LogP ≤ 536.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[4-[[4-Fluoro-2-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]pyridin-2-yl]oxycyclohexane-1-carboxylic acid
CID 46927784
7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58577792
7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58577799
Ethyl 4-[[5-[4-[(2,4-difluorophenyl)carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 58577804
Ethyl 4-[5-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]pyridin-2-yl]oxycyclohexane-1-carboxylate
CID 58577852
4-[5-[2-Ethyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]pyridin-2-yl]oxycyclohexane-1-carboxylic acid
CID 58577904
Ethyl 4-[5-[2-ethyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]pyridin-2-yl]oxycyclohexane-1-carboxylate
CID 58577942
7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2,4-difluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58577968
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-hydroxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-N-pyridin-4-yl-3,4-dihydro-2H-quinoline-1-carboxamide;7-[4-[4-(2-oxopropyl)cyclohexyl]phenyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 157214641
7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide
CID 158333534
7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-[(1-acetylcyclopropyl)methoxy]-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(2R)-N-(4-chloro-2-fluorophenyl)-7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(2R)-7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;ethyl 4-[[5-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 160150983
7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-[(1-acetylcyclopropyl)methoxy]-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;(6R)-N-(4-chloro-2-fluorophenyl)-2-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-6-methylmorpholine-4-carboxamide;(6R)-2-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-6-methyl-N-phenylmorpholine-4-carboxamide;ethyl 4-[[5-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 160298199

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 158639640) is 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC(=O)C(C)(C)COc1ccc(-c2ccc3c(c2)OCCN3C(=O)Nc2ccccc2)cn1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccccc3)cn2)CC1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cn2)CC1.CC(=O)C1CCC(Oc2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cn2)CC1.CCC1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OC4CCC(C(C)=O)CC4)nc3)cc2O1.CCc1ccccc1NC(=O)N1CCOc2cc(-c3ccc(OC4CCC(C(C)=O)CC4)nc3)ccc21.
What is the InChIKey of 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is IAFFSRAGEQZRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H33N3O4.C29H27F4N3O4.C29H31N3O4.C28H29N3O4.C26H27N3O4/c1-3-21-6-4-5-7-26(21)32-30(35)33-16-17-36-28-18-23(10-14-27(28)33)24-11-15-29(31-19-24)37-25-12-8-22(9-13-25)20(2)34;1-3-25-19-33(30(35)32-24-7-5-4-6-8-24)27-15-11-22(17-28(27)36-25)23-12-16-29(31-18-23)37-26-13-9-21(10-14-26)20(2)34;1-17(37)18-2-7-22(8-3-18)40-27-11-5-20(16-34-27)19-4-10-25-26(14-19)39-13-12-36(25)28(38)35-24-9-6-21(30)15-23(24)29(31,32)33;1-19-18-32(29(34)31-24-6-4-3-5-7-24)26-14-10-22(16-27(26)35-19)23-11-15-28(30-17-23)36-25-12-8-21(9-13-25)20(2)33;1-19(32)20-7-11-24(12-8-20)35-27-14-10-22(18-29-27)21-9-13-25-26(17-21)34-16-15-31(25)28(33)30-23-5-3-2-4-6-23;1-18(30)26(2,3)17-33-24-12-10-20(16-27-24)19-9-11-22-23(15-19)32-14-13-29(22)25(31)28-21-7-5-4-6-8-21/h4-7,10-11,14-15,18-19,22,25H,3,8-9,12-13,16-17H2,1-2H3,(H,32,35);4-8,11-12,15-18,21,25-26H,3,9-10,13-14,19H2,1-2H3,(H,32,35);4-6,9-11,14-16,18,22H,2-3,7-8,12-13H2,1H3,(H,35,38);3-7,10-11,14-17,19,21,25H,8-9,12-13,18H2,1-2H3,(H,31,34);2-6,9-10,13-14,17-18,20,24H,7-8,11-12,15-16H2,1H3,(H,30,33);4-12,15-16H,13-14,17H2,1-3H3,(H,28,31).
What are the key properties of 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 2959.43 g/mol, XLogP of 36.59, 33 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-ethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(4-acetylcyclohexyl)oxy-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[6-(2,2-dimethyl-3-oxobutoxy)-3-pyridinyl]-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 158639640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).