benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide

C254H359N21O40 — CID 157266833

IUPACbenzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide
SMILESCC(CCC(=O)CCc1cccc(CCC(=O)CO)c1)OC(=O)c1ccccc1.CC1(C)CC(CC(=O)CCC(=O)OC2CCCCC2)CC(C)(CNC(=O)OCCOc2ccccc2)C1.CC1(C)CC(CC(=O)N2CCOCC2)CC(C)(CNC(=O)N2CCOCC2)C1.CCN(CC)C(=O)CC1CC(C)(C)CC(C)(CNC(=O)N(CC)CC)C1.CCN(CC)C(=O)Cc1ccc(Cc2ccc(CC(=O)N(CC)CC)cc2)cc1.COC(=O)NCC1(C)CC(CC(=O)CCCOC(=O)c2ccccc2)CC(C)(C)C1.Cc1cc(CC(=O)CCc2ccccc2)ccc1NC(=O)OCc1ccccc1.Cc1cc(CC(=O)N2CCCCC2)ccc1NC(=O)N1CCCCC1.Cc1cc(CC(=O)N2CCOCC2)ccc1NC(=O)N1CCCCC1.O=C(CCc1cccc(CCC(=O)N2CCOCC2)c1)N1CCOCC1.O=C(Cc1ccc(Cc2ccc(CC(=O)N3CCOCC3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C30H45NO6.C25H30N2O4.C25H34N2O2.C25H25NO3.C24H35NO5.C24H28O5.C21H37N3O4.C21H41N3O2.C20H29N3O2.C20H28N2O4.C19H27N3O3/c1-29(2)19-23(18-24(32)14-15-27(33)37-26-12-8-5-9-13-26)20-30(3,21-29)22-31-28(34)36-17-16-35-25-10-6-4-7-11-25;28-24(26-9-13-30-14-10-26)18-22-5-1-20(2-6-22)17-21-3-7-23(8-4-21)19-25(29)27-11-15-31-16-12-27;1-5-26(6-2)24(28)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-25(29)27(7-3)8-4;1-19-16-22(17-23(27)14-12-20-8-4-2-5-9-20)13-15-24(19)26-25(28)29-18-21-10-6-3-7-11-21;1-23(2)14-18(15-24(3,16-23)17-25-22(28)29-4)13-20(26)11-8-12-30-21(27)19-9-6-5-7-10-19;1-18(29-24(28)21-8-3-2-4-9-21)10-13-22(26)14-11-19-6-5-7-20(16-19)12-15-23(27)17-25;1-20(2)13-17(12-18(25)23-4-8-27-9-5-23)14-21(3,15-20)16-22-19(26)24-6-10-28-11-7-24;1-8-23(9-2)18(25)12-17-13-20(5,6)15-21(7,14-17)16-22-19(26)24(10-3)11-4;1-16-14-17(15-19(24)22-10-4-2-5-11-22)8-9-18(16)21-20(25)23-12-6-3-7-13-23;23-19(21-8-12-25-13-9-21)6-4-17-2-1-3-18(16-17)5-7-20(24)22-10-14-26-15-11-22;1-15-13-16(14-18(23)21-9-11-25-12-10-21)5-6-17(15)20-19(24)22-7-3-2-4-8-22/h4,6-7,10-11,23,26H,5,8-9,12-22H2,1-3H3,(H,31,34);1-8H,9-19H2;9-16H,5-8,17-19H2,1-4H3;2-11,13,15-16H,12,14,17-18H2,1H3,(H,26,28);5-7,9-10,18H,8,11-17H2,1-4H3,(H,25,28);2-9,16,18,25H,10-15,17H2,1H3;17H,4-16H2,1-3H3,(H,22,26);17H,8-16H2,1-7H3,(H,22,26);8-9,14H,2-7,10-13,15H2,1H3,(H,21,25);1-3,16H,4-15H2;5-6,13H,2-4,7-12,14H2,1H3,(H,20,24)
InChIKeyAYCACXBRABBLER-UHFFFAOYSA-N
MW4346.77 g/mol
LogP39.88
Rot. Bonds81

About benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide

benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide (PubChem CID 157266833) has the molecular formula C254H359N21O40 and a molecular weight of 4346.77 g/mol. Its IUPAC name is benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Namebenzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide
PubChem CID157266833
Molecular FormulaC254H359N21O40
Molecular Weight4346.77 g/mol
Exact Mass4343.67
IUPAC Namebenzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide
SMILESCC(CCC(=O)CCc1cccc(CCC(=O)CO)c1)OC(=O)c1ccccc1.CC1(C)CC(CC(=O)CCC(=O)OC2CCCCC2)CC(C)(CNC(=O)OCCOc2ccccc2)C1.CC1(C)CC(CC(=O)N2CCOCC2)CC(C)(CNC(=O)N2CCOCC2)C1.CCN(CC)C(=O)CC1CC(C)(C)CC(C)(CNC(=O)N(CC)CC)C1.CCN(CC)C(=O)Cc1ccc(Cc2ccc(CC(=O)N(CC)CC)cc2)cc1.COC(=O)NCC1(C)CC(CC(=O)CCCOC(=O)c2ccccc2)CC(C)(C)C1.Cc1cc(CC(=O)CCc2ccccc2)ccc1NC(=O)OCc1ccccc1.Cc1cc(CC(=O)N2CCCCC2)ccc1NC(=O)N1CCCCC1.Cc1cc(CC(=O)N2CCOCC2)ccc1NC(=O)N1CCCCC1.O=C(CCc1cccc(CCC(=O)N2CCOCC2)c1)N1CCOCC1.O=C(Cc1ccc(Cc2ccc(CC(=O)N3CCOCC3)cc2)cc1)N1CCOCC1
InChIInChI=1S/C30H45NO6.C25H30N2O4.C25H34N2O2.C25H25NO3.C24H35NO5.C24H28O5.C21H37N3O4.C21H41N3O2.C20H29N3O2.C20H28N2O4.C19H27N3O3/c1-29(2)19-23(18-24(32)14-15-27(33)37-26-12-8-5-9-13-26)20-30(3,21-29)22-31-28(34)36-17-16-35-25-10-6-4-7-11-25;28-24(26-9-13-30-14-10-26)18-22-5-1-20(2-6-22)17-21-3-7-23(8-4-21)19-25(29)27-11-15-31-16-12-27;1-5-26(6-2)24(28)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-25(29)27(7-3)8-4;1-19-16-22(17-23(27)14-12-20-8-4-2-5-9-20)13-15-24(19)26-25(28)29-18-21-10-6-3-7-11-21;1-23(2)14-18(15-24(3,16-23)17-25-22(28)29-4)13-20(26)11-8-12-30-21(27)19-9-6-5-7-10-19;1-18(29-24(28)21-8-3-2-4-9-21)10-13-22(26)14-11-19-6-5-7-20(16-19)12-15-23(27)17-25;1-20(2)13-17(12-18(25)23-4-8-27-9-5-23)14-21(3,15-20)16-22-19(26)24-6-10-28-11-7-24;1-8-23(9-2)18(25)12-17-13-20(5,6)15-21(7,14-17)16-22-19(26)24(10-3)11-4;1-16-14-17(15-19(24)22-10-4-2-5-11-22)8-9-18(16)21-20(25)23-12-6-3-7-13-23;23-19(21-8-12-25-13-9-21)6-4-17-2-1-3-18(16-17)5-7-20(24)22-10-14-26-15-11-22;1-15-13-16(14-18(23)21-9-11-25-12-10-21)5-6-17(15)20-19(24)22-7-3-2-4-8-22/h4,6-7,10-11,23,26H,5,8-9,12-22H2,1-3H3,(H,31,34);1-8H,9-19H2;9-16H,5-8,17-19H2,1-4H3;2-11,13,15-16H,12,14,17-18H2,1H3,(H,26,28);5-7,9-10,18H,8,11-17H2,1-4H3,(H,25,28);2-9,16,18,25H,10-15,17H2,1H3;17H,4-16H2,1-3H3,(H,22,26);17H,8-16H2,1-7H3,(H,22,26);8-9,14H,2-7,10-13,15H2,1H3,(H,21,25);1-3,16H,4-15H2;5-6,13H,2-4,7-12,14H2,1H3,(H,20,24)
InChIKeyAYCACXBRABBLER-UHFFFAOYSA-N
XLogP39.88
TPSA705.77 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds81
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004346.77
LogP ≤ 539.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide?
The IUPAC name of benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide (CID 157266833) is benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide is CC(CCC(=O)CCc1cccc(CCC(=O)CO)c1)OC(=O)c1ccccc1.CC1(C)CC(CC(=O)CCC(=O)OC2CCCCC2)CC(C)(CNC(=O)OCCOc2ccccc2)C1.CC1(C)CC(CC(=O)N2CCOCC2)CC(C)(CNC(=O)N2CCOCC2)C1.CCN(CC)C(=O)CC1CC(C)(C)CC(C)(CNC(=O)N(CC)CC)C1.CCN(CC)C(=O)Cc1ccc(Cc2ccc(CC(=O)N(CC)CC)cc2)cc1.COC(=O)NCC1(C)CC(CC(=O)CCCOC(=O)c2ccccc2)CC(C)(C)C1.Cc1cc(CC(=O)CCc2ccccc2)ccc1NC(=O)OCc1ccccc1.Cc1cc(CC(=O)N2CCCCC2)ccc1NC(=O)N1CCCCC1.Cc1cc(CC(=O)N2CCOCC2)ccc1NC(=O)N1CCCCC1.O=C(CCc1cccc(CCC(=O)N2CCOCC2)c1)N1CCOCC1.O=C(Cc1ccc(Cc2ccc(CC(=O)N3CCOCC3)cc2)cc1)N1CCOCC1.
What is the InChIKey of benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide?
The InChIKey is AYCACXBRABBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO6.C25H30N2O4.C25H34N2O2.C25H25NO3.C24H35NO5.C24H28O5.C21H37N3O4.C21H41N3O2.C20H29N3O2.C20H28N2O4.C19H27N3O3/c1-29(2)19-23(18-24(32)14-15-27(33)37-26-12-8-5-9-13-26)20-30(3,21-29)22-31-28(34)36-17-16-35-25-10-6-4-7-11-25;28-24(26-9-13-30-14-10-26)18-22-5-1-20(2-6-22)17-21-3-7-23(8-4-21)19-25(29)27-11-15-31-16-12-27;1-5-26(6-2)24(28)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-25(29)27(7-3)8-4;1-19-16-22(17-23(27)14-12-20-8-4-2-5-9-20)13-15-24(19)26-25(28)29-18-21-10-6-3-7-11-21;1-23(2)14-18(15-24(3,16-23)17-25-22(28)29-4)13-20(26)11-8-12-30-21(27)19-9-6-5-7-10-19;1-18(29-24(28)21-8-3-2-4-9-21)10-13-22(26)14-11-19-6-5-7-20(16-19)12-15-23(27)17-25;1-20(2)13-17(12-18(25)23-4-8-27-9-5-23)14-21(3,15-20)16-22-19(26)24-6-10-28-11-7-24;1-8-23(9-2)18(25)12-17-13-20(5,6)15-21(7,14-17)16-22-19(26)24(10-3)11-4;1-16-14-17(15-19(24)22-10-4-2-5-11-22)8-9-18(16)21-20(25)23-12-6-3-7-13-23;23-19(21-8-12-25-13-9-21)6-4-17-2-1-3-18(16-17)5-7-20(24)22-10-14-26-15-11-22;1-15-13-16(14-18(23)21-9-11-25-12-10-21)5-6-17(15)20-19(24)22-7-3-2-4-8-22/h4,6-7,10-11,23,26H,5,8-9,12-22H2,1-3H3,(H,31,34);1-8H,9-19H2;9-16H,5-8,17-19H2,1-4H3;2-11,13,15-16H,12,14,17-18H2,1H3,(H,26,28);5-7,9-10,18H,8,11-17H2,1-4H3,(H,25,28);2-9,16,18,25H,10-15,17H2,1H3;17H,4-16H2,1-3H3,(H,22,26);17H,8-16H2,1-7H3,(H,22,26);8-9,14H,2-7,10-13,15H2,1H3,(H,21,25);1-3,16H,4-15H2;5-6,13H,2-4,7-12,14H2,1H3,(H,20,24).
What are the key properties of benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide?
benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide has a molecular weight of 4346.77 g/mol, XLogP of 39.88, 81 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-methyl-4-(2-oxo-4-phenylbutyl)phenyl]carbamate;cyclohexyl 4-oxo-5-[3,3,5-trimethyl-5-[(2-phenoxyethoxycarbonylamino)methyl]cyclohexyl]pentanoate;2-[4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]methyl]phenyl]-N,N-diethylacetamide;2-[3-[(diethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-N,N-diethylacetamide;[7-[3-(4-hydroxy-3-oxobutyl)phenyl]-5-oxoheptan-2-yl] benzoate;[5-[3-[(methoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]-4-oxopentyl] benzoate;N-[2-methyl-4-(2-morpholin-4-yl-2-oxoethyl)phenyl]piperidine-1-carboxamide;N-[2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)phenyl]piperidine-1-carboxamide;1-morpholin-4-yl-2-[4-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]methyl]phenyl]ethanone;1-morpholin-4-yl-3-[3-(3-morpholin-4-yl-3-oxopropyl)phenyl]propan-1-one;N-[[1,3,3-trimethyl-5-(2-morpholin-4-yl-2-oxoethyl)cyclohexyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 157266833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).