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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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

C331H408N6O29 — CID 159528892

IUPACN-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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
SMILESC.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)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
InChIInChI=1S/C38H40O4.2C32H39NO.2C32H36O4.C31H37NO.C29H46N2O2.C26H35NO.C25H32O2.C24H22O5.C19H34O2.C10H8O2.CH4/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)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;1-4-5-6-7-21-9-11-22(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,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;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;1H4
InChIKeyMCSWBVMQBHIQLK-UHFFFAOYSA-N
MW4934.92 g/mol
LogP86.52
Rot. Bonds87

About 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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 159528892) has the molecular formula C331H408N6O29 and a molecular weight of 4934.92 g/mol. Its IUPAC name is 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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 CID159528892
Molecular FormulaC331H408N6O29
Molecular Weight4934.92 g/mol
Exact Mass4931.06
IUPAC NameN-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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
SMILESC.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)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
InChIInChI=1S/C38H40O4.2C32H39NO.2C32H36O4.C31H37NO.C29H46N2O2.C26H35NO.C25H32O2.C24H22O5.C19H34O2.C10H8O2.CH4/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)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;1-4-5-6-7-21-9-11-22(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,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;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;1H4
InChIKeyMCSWBVMQBHIQLK-UHFFFAOYSA-N
XLogP86.52
TPSA447.71 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds87
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004934.92
LogP ≤ 586.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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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Related Compounds

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
(4-propoxyphenyl) 4-(4-octylcyclohexyl)benzoate
CID 23334653
(4-methylphenyl) 4-(4-pentylcyclohexyl)benzoate
CID 23334784
4-(4-butylcyclohexyl)-N-[4-(4-methylphenyl)phenyl]benzamide
CID 138461387
[4-(4-pentylcyclohexyl)phenyl] 4-(8-propanoyloxyoctoxy)benzoate
CID 58027848
[4-(methylcarbamoyl)phenyl] 4-[4-(4-pentylcyclohexyl)phenyl]benzoate
CID 67687340
[10-methoxy-5-(4-methoxyphenyl)-21,21-dimethyl-5-(4-methylphenyl)-3-[4-[[4-[4-(4-pentylcyclohexyl)phenyl]benzoyl]amino]phenyl]-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl] 2-[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenyl]benzoate
CID 90407551
1-O-nonyl 4-O-[8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenoxy]carbonylphenoxy]octyl] butanedioate
CID 162775598
[4-[4-(4-pentylcyclohexyl)cyclohexanecarbonyl]oxyphenyl] 4-(8-hydroxyoctoxy)benzoate
CID 162775643
[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl] 4-hexylcyclohexane-1-carboxylate
CID 59931518
[4-(4-ethylcyclohexyl)phenyl] 4-hexylcyclohexane-1-carboxylate
CID 23334605
[4-[4-(4-pentan-2-ylcyclohexyl)phenyl]phenyl] 4-[(3,4-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 67989979

Frequently Asked Questions

What is the IUPAC name of 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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 159528892) is 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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 C.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)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.
What is the InChIKey of 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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 MCSWBVMQBHIQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40O4.2C32H39NO.2C32H36O4.C31H37NO.C29H46N2O2.C26H35NO.C25H32O2.C24H22O5.C19H34O2.C10H8O2.CH4/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)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;1-4-5-6-7-21-9-11-22(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,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;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;1H4.
What are the key properties of 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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-(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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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 4934.92 g/mol, XLogP of 86.52, 87 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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;methane;(4-methoxycarbonylphenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate;[4-(4-methoxycarbonylphenyl)phenyl] 4-(4-pentylcyclohexyl)benzoate;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 159528892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).