N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate

C390H473N9O32 — CID 159052843

IUPACN-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate
SMILESCCCCCC1CCC(C2CCC(C(=O)OC)CC2)CC1.CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(N4CCN(C)CC4)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)OC)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(-c5ccc(C(=O)OC)cc5)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(C(=O)OC)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(-c4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)OC)cc4)cc3)cc2)CC1.CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)OC)cc3)cc2)cc1.COC(=O)C#Cc1ccccc1.Cc1ccc(-c2ccc(NC(=O)c3ccc(C4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C38H40O4.C33H40N2O2.2C32H39NO.2C32H36O4.C31H37NO.C29H46N2O2.C27H29NO.C26H35NO.C25H32O2.C24H22O5.C19H34O2.C10H8O2/c1-3-4-5-6-27-7-9-28(10-8-27)29-11-13-30(14-12-29)31-17-21-35(22-18-31)38(40)42-36-25-23-33(24-26-36)32-15-19-34(20-16-32)37(39)41-2;1-4-5-6-7-25-9-11-26(12-10-25)27-13-15-28(16-14-27)32(36)34-30-20-17-29(18-21-30)33(37)35-31-19-8-23(2)24(3)22-31;1-4-5-6-7-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-19-30(20-18-29)32(34)33-31-21-8-23(2)24(3)22-31;1-4-5-6-7-25-9-12-26(13-10-25)27-14-16-29(17-15-27)32(34)33-31-20-18-28(19-21-31)30-11-8-23(2)24(3)22-30;1-3-4-5-6-23-7-9-24(10-8-23)25-13-17-29(18-14-25)32(34)36-30-21-19-27(20-22-30)26-11-15-28(16-12-26)31(33)35-2;1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-29(18-16-27)32(34)36-30-21-19-28(20-22-30)31(33)35-2;1-3-4-5-6-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-19-29(20-18-28)31(33)32-30-21-7-23(2)8-22-30;1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)29(32)33-28-17-15-27(16-18-28)31-21-19-30(2)20-22-31;1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(29)28-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-4-5-6-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)26(28)27-25-17-8-19(2)20(3)18-25;1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(26)27-2;1-3-16-28-21-12-10-20(11-13-21)24(26)29-22-14-8-18(9-15-22)17-4-6-19(7-5-17)23(25)27-2;1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21-2;1-12-10(11)8-7-9-5-3-2-4-6-9/h11-28H,3-10H2,1-2H3;8,13-22,25-26H,4-7,9-12H2,1-3H3,(H,34,36)(H,35,37);8,13-22,25-26H,4-7,9-12H2,1-3H3,(H,33,34);8,11,14-22,25-26H,4-7,9-10,12-13H2,1-3H3,(H,33,34);2*11-24H,3-10H2,1-2H3;7-8,13-22,24-25H,3-6,9-12H2,1-2H3,(H,32,33);15-18,23-26H,3-14,19-22H2,1-2H3;5-6,9-19,21H,3-4,7-8H2,1-2H3,(H,28,29);8,13-18,21-22H,4-7,9-12H2,1-3H3,(H,27,28);11-20H,3-10H2,1-2H3;4-15H,3,16H2,1-2H3;15-18H,3-14H2,1-2H3;2-6H,1H3
InChIKeyJXMHAIDDFSPBIV-UHFFFAOYSA-N
MW5799.11 g/mol
LogP101.75
Rot. Bonds100

About N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate

N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate (PubChem CID 159052843) has the molecular formula C390H473N9O32 and a molecular weight of 5799.11 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate
PubChem CID159052843
Molecular FormulaC390H473N9O32
Molecular Weight5799.11 g/mol
Exact Mass5794.57
IUPAC NameN-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate
SMILESCCCCCC1CCC(C2CCC(C(=O)OC)CC2)CC1.CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(N4CCN(C)CC4)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)OC)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(-c5ccc(C(=O)OC)cc5)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(C(=O)OC)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(-c4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)OC)cc4)cc3)cc2)CC1.CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)OC)cc3)cc2)cc1.COC(=O)C#Cc1ccccc1.Cc1ccc(-c2ccc(NC(=O)c3ccc(C4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C38H40O4.C33H40N2O2.2C32H39NO.2C32H36O4.C31H37NO.C29H46N2O2.C27H29NO.C26H35NO.C25H32O2.C24H22O5.C19H34O2.C10H8O2/c1-3-4-5-6-27-7-9-28(10-8-27)29-11-13-30(14-12-29)31-17-21-35(22-18-31)38(40)42-36-25-23-33(24-26-36)32-15-19-34(20-16-32)37(39)41-2;1-4-5-6-7-25-9-11-26(12-10-25)27-13-15-28(16-14-27)32(36)34-30-20-17-29(18-21-30)33(37)35-31-19-8-23(2)24(3)22-31;1-4-5-6-7-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-19-30(20-18-29)32(34)33-31-21-8-23(2)24(3)22-31;1-4-5-6-7-25-9-12-26(13-10-25)27-14-16-29(17-15-27)32(34)33-31-20-18-28(19-21-31)30-11-8-23(2)24(3)22-30;1-3-4-5-6-23-7-9-24(10-8-23)25-13-17-29(18-14-25)32(34)36-30-21-19-27(20-22-30)26-11-15-28(16-12-26)31(33)35-2;1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-29(18-16-27)32(34)36-30-21-19-28(20-22-30)31(33)35-2;1-3-4-5-6-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-19-29(20-18-28)31(33)32-30-21-7-23(2)8-22-30;1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)29(32)33-28-17-15-27(16-18-28)31-21-19-30(2)20-22-31;1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(29)28-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-4-5-6-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)26(28)27-25-17-8-19(2)20(3)18-25;1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(26)27-2;1-3-16-28-21-12-10-20(11-13-21)24(26)29-22-14-8-18(9-15-22)17-4-6-19(7-5-17)23(25)27-2;1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21-2;1-12-10(11)8-7-9-5-3-2-4-6-9/h11-28H,3-10H2,1-2H3;8,13-22,25-26H,4-7,9-12H2,1-3H3,(H,34,36)(H,35,37);8,13-22,25-26H,4-7,9-12H2,1-3H3,(H,33,34);8,11,14-22,25-26H,4-7,9-10,12-13H2,1-3H3,(H,33,34);2*11-24H,3-10H2,1-2H3;7-8,13-22,24-25H,3-6,9-12H2,1-2H3,(H,32,33);15-18,23-26H,3-14,19-22H2,1-2H3;5-6,9-19,21H,3-4,7-8H2,1-2H3,(H,28,29);8,13-18,21-22H,4-7,9-12H2,1-3H3,(H,27,28);11-20H,3-10H2,1-2H3;4-15H,3,16H2,1-2H3;15-18H,3-14H2,1-2H3;2-6H,1H3
InChIKeyJXMHAIDDFSPBIV-UHFFFAOYSA-N
XLogP101.75
TPSA535.01 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds100
Heavy Atoms431
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005799.11
LogP ≤ 5101.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate (CID 159052843) is N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate is CCCCCC1CCC(C2CCC(C(=O)OC)CC2)CC1.CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(N4CCN(C)CC4)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)OC)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(-c5ccc(C(=O)OC)cc5)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(C(=O)OC)cc4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(-c4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)CC1.CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)OC)cc4)cc3)cc2)CC1.CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)OC)cc3)cc2)cc1.COC(=O)C#Cc1ccccc1.Cc1ccc(-c2ccc(NC(=O)c3ccc(C4CCC(C)CC4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate?
The InChIKey is JXMHAIDDFSPBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40O4.C33H40N2O2.2C32H39NO.2C32H36O4.C31H37NO.C29H46N2O2.C27H29NO.C26H35NO.C25H32O2.C24H22O5.C19H34O2.C10H8O2/c1-3-4-5-6-27-7-9-28(10-8-27)29-11-13-30(14-12-29)31-17-21-35(22-18-31)38(40)42-36-25-23-33(24-26-36)32-15-19-34(20-16-32)37(39)41-2;1-4-5-6-7-25-9-11-26(12-10-25)27-13-15-28(16-14-27)32(36)34-30-20-17-29(18-21-30)33(37)35-31-19-8-23(2)24(3)22-31;1-4-5-6-7-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-19-30(20-18-29)32(34)33-31-21-8-23(2)24(3)22-31;1-4-5-6-7-25-9-12-26(13-10-25)27-14-16-29(17-15-27)32(34)33-31-20-18-28(19-21-31)30-11-8-23(2)24(3)22-30;1-3-4-5-6-23-7-9-24(10-8-23)25-13-17-29(18-14-25)32(34)36-30-21-19-27(20-22-30)26-11-15-28(16-12-26)31(33)35-2;1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-29(18-16-27)32(34)36-30-21-19-28(20-22-30)31(33)35-2;1-3-4-5-6-24-9-11-25(12-10-24)26-13-15-27(16-14-26)28-17-19-29(20-18-28)31(33)32-30-21-7-23(2)8-22-30;1-3-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)29(32)33-28-17-15-27(16-18-28)31-21-19-30(2)20-22-31;1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(29)28-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-4-5-6-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)26(28)27-25-17-8-19(2)20(3)18-25;1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(18-16-23)25(26)27-2;1-3-16-28-21-12-10-20(11-13-21)24(26)29-22-14-8-18(9-15-22)17-4-6-19(7-5-17)23(25)27-2;1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21-2;1-12-10(11)8-7-9-5-3-2-4-6-9/h11-28H,3-10H2,1-2H3;8,13-22,25-26H,4-7,9-12H2,1-3H3,(H,34,36)(H,35,37);8,13-22,25-26H,4-7,9-12H2,1-3H3,(H,33,34);8,11,14-22,25-26H,4-7,9-10,12-13H2,1-3H3,(H,33,34);2*11-24H,3-10H2,1-2H3;7-8,13-22,24-25H,3-6,9-12H2,1-2H3,(H,32,33);15-18,23-26H,3-14,19-22H2,1-2H3;5-6,9-19,21H,3-4,7-8H2,1-2H3,(H,28,29);8,13-18,21-22H,4-7,9-12H2,1-3H3,(H,27,28);11-20H,3-10H2,1-2H3;4-15H,3,16H2,1-2H3;15-18H,3-14H2,1-2H3;2-6H,1H3.
What are the key properties of N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate?
N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate has a molecular weight of 5799.11 g/mol, XLogP of 101.75, 100 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-(4-pentylcyclohexyl)benzamide;N-(3,4-dimethylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;N-[4-(3,4-dimethylphenyl)phenyl]-4-(4-pentylcyclohexyl)benzamide;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;4-(4-methylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide;methyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;methyl 4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]oxyphenyl]benzoate;N-(4-methylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzamide;methyl 3-phenylprop-2-ynoate;[4-(4-methylpiperazin-1-yl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;methyl 4-[4-(4-propoxybenzoyl)oxyphenyl]benzoate is sourced from PubChem (CID 159052843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).