carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate

C244H295F9N8O48 — CID 157080613

IUPACcarbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate
SMILESCC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(C)CC4)ccc(C(=O)O)c23)CC1.CC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(C)CC4)ccc(C(=O)O)c23)CC1.CC1CCC(NC(=O)c2ccc(C(=O)O)c3c(C(=O)CC4CCC(C(F)(F)F)CC4)ccc(OC=O)c23)CC1.CC1CCC(NC(=O)c2ccc(C(=O)O)c3c(C(=O)CC4CCC(C(F)(F)F)CC4)ccc(OC=O)c23)CC1.CCCCCC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(CCCCC)CC4)ccc(C(=O)O)c23)CC1.CCOC(=O)c1ccc(C(=O)NC2CCC(C)CC2)c2c(CC)ccc(C(=O)CC3CCC(C)CC3)c12.COC(=O)c1ccc(C(=O)NC2CCC(C)CC2)c2c(COC=O)ccc(C(=O)CC3CCC(C(F)(F)F)CC3)c12.O=C=O.O=COc1ccc(C(=O)CC2CCCCC2)c2c(C(=O)O)ccc(C(=O)NC3CCCCC3)c12
InChIInChI=1S/C37H51NO6.C32H43NO4.C31H36F3NO6.2C29H32F3NO6.2C29H35NO6.C27H31NO6.CO2/c1-3-5-7-9-25-11-13-27(14-12-25)23-32(40)29-21-22-33(44-24-39)35-30(19-20-31(34(29)35)37(42)43)36(41)38-28-17-15-26(16-18-28)10-8-6-4-2;1-5-23-13-16-25(28(34)19-22-11-7-20(3)8-12-22)30-27(32(36)37-6-2)18-17-26(29(23)30)31(35)33-24-14-9-21(4)10-15-24;1-18-3-10-22(11-4-18)35-29(38)24-13-14-25(30(39)40-2)28-23(12-7-20(27(24)28)16-41-17-36)26(37)15-19-5-8-21(9-6-19)31(32,33)34;2*1-16-2-8-19(9-3-16)33-27(36)21-10-11-22(28(37)38)25-20(12-13-24(26(21)25)39-15-34)23(35)14-17-4-6-18(7-5-17)29(30,31)32;2*1-17-3-7-19(8-4-17)15-24(32)21-13-14-25(36-16-31)27-22(11-12-23(26(21)27)29(34)35)28(33)30-20-9-5-18(2)6-10-20;29-16-34-23-14-13-19(22(30)15-17-7-3-1-4-8-17)24-21(27(32)33)12-11-20(25(23)24)26(31)28-18-9-5-2-6-10-18;2-1-3/h19-22,24-28H,3-18,23H2,1-2H3,(H,38,41)(H,42,43);13,16-18,20-22,24H,5-12,14-15,19H2,1-4H3,(H,33,35);7,12-14,17-19,21-22H,3-6,8-11,15-16H2,1-2H3,(H,35,38);2*10-13,15-19H,2-9,14H2,1H3,(H,33,36)(H,37,38);2*11-14,16-20H,3-10,15H2,1-2H3,(H,30,33)(H,34,35);11-14,16-18H,1-10,15H2,(H,28,31)(H,32,33);
InChIKeyADMPDWSAKKQOOT-UHFFFAOYSA-N
MW4279.03 g/mol
LogP51.65
Rot. Bonds73

About carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate

carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate (PubChem CID 157080613) has the molecular formula C244H295F9N8O48 and a molecular weight of 4279.03 g/mol. Its IUPAC name is carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate
PubChem CID157080613
Molecular FormulaC244H295F9N8O48
Molecular Weight4279.03 g/mol
Exact Mass4276.07
IUPAC Namecarbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate
SMILESCC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(C)CC4)ccc(C(=O)O)c23)CC1.CC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(C)CC4)ccc(C(=O)O)c23)CC1.CC1CCC(NC(=O)c2ccc(C(=O)O)c3c(C(=O)CC4CCC(C(F)(F)F)CC4)ccc(OC=O)c23)CC1.CC1CCC(NC(=O)c2ccc(C(=O)O)c3c(C(=O)CC4CCC(C(F)(F)F)CC4)ccc(OC=O)c23)CC1.CCCCCC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(CCCCC)CC4)ccc(C(=O)O)c23)CC1.CCOC(=O)c1ccc(C(=O)NC2CCC(C)CC2)c2c(CC)ccc(C(=O)CC3CCC(C)CC3)c12.COC(=O)c1ccc(C(=O)NC2CCC(C)CC2)c2c(COC=O)ccc(C(=O)CC3CCC(C(F)(F)F)CC3)c12.O=C=O.O=COc1ccc(C(=O)CC2CCCCC2)c2c(C(=O)O)ccc(C(=O)NC3CCCCC3)c12
InChIInChI=1S/C37H51NO6.C32H43NO4.C31H36F3NO6.2C29H32F3NO6.2C29H35NO6.C27H31NO6.CO2/c1-3-5-7-9-25-11-13-27(14-12-25)23-32(40)29-21-22-33(44-24-39)35-30(19-20-31(34(29)35)37(42)43)36(41)38-28-17-15-26(16-18-28)10-8-6-4-2;1-5-23-13-16-25(28(34)19-22-11-7-20(3)8-12-22)30-27(32(36)37-6-2)18-17-26(29(23)30)31(35)33-24-14-9-21(4)10-15-24;1-18-3-10-22(11-4-18)35-29(38)24-13-14-25(30(39)40-2)28-23(12-7-20(27(24)28)16-41-17-36)26(37)15-19-5-8-21(9-6-19)31(32,33)34;2*1-16-2-8-19(9-3-16)33-27(36)21-10-11-22(28(37)38)25-20(12-13-24(26(21)25)39-15-34)23(35)14-17-4-6-18(7-5-17)29(30,31)32;2*1-17-3-7-19(8-4-17)15-24(32)21-13-14-25(36-16-31)27-22(11-12-23(26(21)27)29(34)35)28(33)30-20-9-5-18(2)6-10-20;29-16-34-23-14-13-19(22(30)15-17-7-3-1-4-8-17)24-21(27(32)33)12-11-20(25(23)24)26(31)28-18-9-5-2-6-10-18;2-1-3/h19-22,24-28H,3-18,23H2,1-2H3,(H,38,41)(H,42,43);13,16-18,20-22,24H,5-12,14-15,19H2,1-4H3,(H,33,35);7,12-14,17-19,21-22H,3-6,8-11,15-16H2,1-2H3,(H,35,38);2*10-13,15-19H,2-9,14H2,1H3,(H,33,36)(H,37,38);2*11-14,16-20H,3-10,15H2,1-2H3,(H,30,33)(H,34,35);11-14,16-18H,1-10,15H2,(H,28,31)(H,32,33);
InChIKeyADMPDWSAKKQOOT-UHFFFAOYSA-N
XLogP51.65
TPSA864.00 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds73
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004279.03
LogP ≤ 551.65
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate with MolForge

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Related Compounds

[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid
CID 159648236
diethyl 4-[4-(4-methylcyclohexyl)butanoyl]-8-[(4-methylcyclohexyl)carbamoyl]naphthalene-1,5-dicarboxylate
CID 123642108
8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-methylnaphthalene-1-carboxylic acid
CID 58526808
4-(2-cyclohexylacetyl)-10-(cyclohexylcarbamoyl)-9-methylperylene-3-carboxylic acid
CID 58526845
5-methyl-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylate
CID 58526816
4-methyl-5-[(4-methylcyclohexyl)carbamoyl]-8-[2-(4-methylcyclohexyl)ethyl]naphthalene-1-carboxylic acid
CID 58526812
5-carbamoyl-8-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]naphthalene-1,4-dicarboxylic acid
CID 141248788
5-formyl-4,8-bis[[4-(trifluoromethyl)cyclohexyl]carbamoyl]naphthalene-1-carboxylic acid
CID 88871083
9-methyl-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylate
CID 58526820
4-[2-(cyclohexylamino)-2-oxoethyl]-8-(cyclohexylcarbamoyl)naphthalene-1,5-dicarboxylic acid
CID 123214250
4-(2-cyclopentylacetyl)-10-(cyclopentylcarbamoyl)-9-methylperylene-3-carboxylate;bis(tripropylazanium)
CID 158629333
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate?
The IUPAC name of carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate (CID 157080613) is carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate.
What is the SMILES notation for carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate?
The canonical SMILES for carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate is CC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(C)CC4)ccc(C(=O)O)c23)CC1.CC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(C)CC4)ccc(C(=O)O)c23)CC1.CC1CCC(NC(=O)c2ccc(C(=O)O)c3c(C(=O)CC4CCC(C(F)(F)F)CC4)ccc(OC=O)c23)CC1.CC1CCC(NC(=O)c2ccc(C(=O)O)c3c(C(=O)CC4CCC(C(F)(F)F)CC4)ccc(OC=O)c23)CC1.CCCCCC1CCC(CC(=O)c2ccc(OC=O)c3c(C(=O)NC4CCC(CCCCC)CC4)ccc(C(=O)O)c23)CC1.CCOC(=O)c1ccc(C(=O)NC2CCC(C)CC2)c2c(CC)ccc(C(=O)CC3CCC(C)CC3)c12.COC(=O)c1ccc(C(=O)NC2CCC(C)CC2)c2c(COC=O)ccc(C(=O)CC3CCC(C(F)(F)F)CC3)c12.O=C=O.O=COc1ccc(C(=O)CC2CCCCC2)c2c(C(=O)O)ccc(C(=O)NC3CCCCC3)c12.
What is the InChIKey of carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate?
The InChIKey is ADMPDWSAKKQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51NO6.C32H43NO4.C31H36F3NO6.2C29H32F3NO6.2C29H35NO6.C27H31NO6.CO2/c1-3-5-7-9-25-11-13-27(14-12-25)23-32(40)29-21-22-33(44-24-39)35-30(19-20-31(34(29)35)37(42)43)36(41)38-28-17-15-26(16-18-28)10-8-6-4-2;1-5-23-13-16-25(28(34)19-22-11-7-20(3)8-12-22)30-27(32(36)37-6-2)18-17-26(29(23)30)31(35)33-24-14-9-21(4)10-15-24;1-18-3-10-22(11-4-18)35-29(38)24-13-14-25(30(39)40-2)28-23(12-7-20(27(24)28)16-41-17-36)26(37)15-19-5-8-21(9-6-19)31(32,33)34;2*1-16-2-8-19(9-3-16)33-27(36)21-10-11-22(28(37)38)25-20(12-13-24(26(21)25)39-15-34)23(35)14-17-4-6-18(7-5-17)29(30,31)32;2*1-17-3-7-19(8-4-17)15-24(32)21-13-14-25(36-16-31)27-22(11-12-23(26(21)27)29(34)35)28(33)30-20-9-5-18(2)6-10-20;29-16-34-23-14-13-19(22(30)15-17-7-3-1-4-8-17)24-21(27(32)33)12-11-20(25(23)24)26(31)28-18-9-5-2-6-10-18;2-1-3/h19-22,24-28H,3-18,23H2,1-2H3,(H,38,41)(H,42,43);13,16-18,20-22,24H,5-12,14-15,19H2,1-4H3,(H,33,35);7,12-14,17-19,21-22H,3-6,8-11,15-16H2,1-2H3,(H,35,38);2*10-13,15-19H,2-9,14H2,1H3,(H,33,36)(H,37,38);2*11-14,16-20H,3-10,15H2,1-2H3,(H,30,33)(H,34,35);11-14,16-18H,1-10,15H2,(H,28,31)(H,32,33);.
What are the key properties of carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate?
carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate has a molecular weight of 4279.03 g/mol, XLogP of 51.65, 73 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;8-(2-cyclohexylacetyl)-4-(cyclohexylcarbamoyl)-5-formyloxynaphthalene-1-carboxylic acid;ethyl 5-ethyl-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylate;bis(5-formyloxy-8-[2-(4-methylcyclohexyl)acetyl]-4-[(4-methylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid);bis(5-formyloxy-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylic acid);5-formyloxy-8-[2-(4-pentylcyclohexyl)acetyl]-4-[(4-pentylcyclohexyl)carbamoyl]naphthalene-1-carboxylic acid;methyl 5-(formyloxymethyl)-4-[(4-methylcyclohexyl)carbamoyl]-8-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]naphthalene-1-carboxylate is sourced from PubChem (CID 157080613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).