benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide

C234H236FN21O25+2 — CID 161135302

IUPACbenzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide
SMILESC.CCCCN(CCCC)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccc[n+](C)c2)cc1.C[n+]1ccc(CCNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccccc2)cc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccccc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1cccc[n+]1[O-])OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1
InChIInChI=1S/C31H31N3O3.C30H27FN2O3.2C30H29N3O3.C30H36N2O3.C29H27N3O4.C29H27N3O3.C24H24N2O3.CH4/c1-34-19-7-8-24(22-34)17-18-32-31(36)29-12-6-5-11-28(29)27-10-4-3-9-25(27)21-33-30(35)20-23-13-15-26(37-2)16-14-23;1-21-15-16-24(28(31)17-21)19-32-29(34)27-14-8-7-13-26(27)25-12-6-5-11-23(25)18-33-30(35)36-20-22-9-3-2-4-10-22;1-33(20-18-25-14-9-10-19-31-25)29(34)28-17-8-7-16-27(28)26-15-6-5-13-24(26)21-32-30(35)36-22-23-11-3-2-4-12-23;1-33-19-16-23(17-20-33)15-18-31-29(34)28-14-8-7-13-27(28)26-12-6-5-11-25(26)21-32-30(35)36-22-24-9-3-2-4-10-24;1-3-5-20-32(21-6-4-2)29(33)28-19-13-12-18-27(28)26-17-11-10-16-25(26)22-31-30(34)35-23-24-14-8-7-9-15-24;33-28(30-18-17-24-13-8-9-19-32(24)35)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-31-29(34)36-21-22-10-2-1-3-11-22;33-28(31-19-17-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-32-29(34)35-21-22-10-2-1-3-11-22;1-2-25-23(27)22-15-9-8-14-21(22)20-13-7-6-12-19(20)16-26-24(28)29-17-18-10-4-3-5-11-18;/h3-16,19,22H,17-18,20-21H2,1-2H3,(H-,32,33,35,36);2-17H,18-20H2,1H3,(H,32,34)(H,33,35);2-17,19H,18,20-22H2,1H3,(H,32,35);2-14,16-17,19-20H,15,18,21-22H2,1H3,(H-,31,32,34,35);7-19H,3-6,20-23H2,1-2H3,(H,31,34);1-16,19H,17-18,20-21H2,(H,30,33)(H,31,34);1-16,18H,17,19-21H2,(H,31,33)(H,32,34);3-15H,2,16-17H2,1H3,(H,25,27)(H,26,28);1H4/p+2
InChIKeyUMSGLBHOTOVUSA-UHFFFAOYSA-P
MW3761.58 g/mol
LogP41.76
Rot. Bonds73

About benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide

benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide (PubChem CID 161135302) has the molecular formula C234H236FN21O25+2 and a molecular weight of 3761.58 g/mol. Its IUPAC name is benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide.

Molecular Properties

Compound Namebenzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide
PubChem CID161135302
Molecular FormulaC234H236FN21O25+2
Molecular Weight3761.58 g/mol
Exact Mass3758.78
IUPAC Namebenzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide
SMILESC.CCCCN(CCCC)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccc[n+](C)c2)cc1.C[n+]1ccc(CCNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccccc2)cc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccccc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1cccc[n+]1[O-])OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1
InChIInChI=1S/C31H31N3O3.C30H27FN2O3.2C30H29N3O3.C30H36N2O3.C29H27N3O4.C29H27N3O3.C24H24N2O3.CH4/c1-34-19-7-8-24(22-34)17-18-32-31(36)29-12-6-5-11-28(29)27-10-4-3-9-25(27)21-33-30(35)20-23-13-15-26(37-2)16-14-23;1-21-15-16-24(28(31)17-21)19-32-29(34)27-14-8-7-13-26(27)25-12-6-5-11-23(25)18-33-30(35)36-20-22-9-3-2-4-10-22;1-33(20-18-25-14-9-10-19-31-25)29(34)28-17-8-7-16-27(28)26-15-6-5-13-24(26)21-32-30(35)36-22-23-11-3-2-4-12-23;1-33-19-16-23(17-20-33)15-18-31-29(34)28-14-8-7-13-27(28)26-12-6-5-11-25(26)21-32-30(35)36-22-24-9-3-2-4-10-24;1-3-5-20-32(21-6-4-2)29(33)28-19-13-12-18-27(28)26-17-11-10-16-25(26)22-31-30(34)35-23-24-14-8-7-9-15-24;33-28(30-18-17-24-13-8-9-19-32(24)35)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-31-29(34)36-21-22-10-2-1-3-11-22;33-28(31-19-17-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-32-29(34)35-21-22-10-2-1-3-11-22;1-2-25-23(27)22-15-9-8-14-21(22)20-13-7-6-12-19(20)16-26-24(28)29-17-18-10-4-3-5-11-18;/h3-16,19,22H,17-18,20-21H2,1-2H3,(H-,32,33,35,36);2-17H,18-20H2,1H3,(H,32,34)(H,33,35);2-17,19H,18,20-22H2,1H3,(H,32,35);2-14,16-17,19-20H,15,18,21-22H2,1H3,(H-,31,32,34,35);7-19H,3-6,20-23H2,1-2H3,(H,31,34);1-16,19H,17-18,20-21H2,(H,30,33)(H,31,34);1-16,18H,17,19-21H2,(H,31,33)(H,32,34);3-15H,2,16-17H2,1H3,(H,25,27)(H,26,28);1H4/p+2
InChIKeyUMSGLBHOTOVUSA-UHFFFAOYSA-P
XLogP41.76
TPSA582.34 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds73
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003761.58
LogP ≤ 541.76
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide with MolForge

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Related Compounds

CID 157221941
CID 157221941
benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(3-methylphenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 157545308
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 158277324
3-[4-(cyclopropylmethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-[4-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;3-[4-(2-methoxyethoxy)phenyl]-2-propan-2-ylpyridine
CID 158754544
benzyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;[(1S)-1-phenylbutyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 159285461
N-benzyl-N-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;tert-butyl N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]carbamate;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;bis(N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzamide)
CID 159504878
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161313516
tert-butyl 4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]piperidine-1-carboxylate;2,6-dimethyl-4-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2,6-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]phenol;2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol;2-fluoro-6-methyl-4-[(E)-2-pyridin-2-ylethenyl]phenol;2-fluoro-6-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methylbenzaldehyde
CID 165087330
bis(carbon dioxide);N-[4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]phenyl]propanamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(propanoylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167566170
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 167661342
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-[[4-[5-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]phenyl]methyl]butanamide
CID 44536224

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide?
The IUPAC name of benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide (CID 161135302) is benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide.
What is the SMILES notation for benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide?
The canonical SMILES for benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide is C.CCCCN(CCCC)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccc[n+](C)c2)cc1.C[n+]1ccc(CCNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccccc2)cc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccccc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1cccc[n+]1[O-])OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide?
The InChIKey is UMSGLBHOTOVUSA-UHFFFAOYSA-P. The full InChI is InChI=1S/C31H31N3O3.C30H27FN2O3.2C30H29N3O3.C30H36N2O3.C29H27N3O4.C29H27N3O3.C24H24N2O3.CH4/c1-34-19-7-8-24(22-34)17-18-32-31(36)29-12-6-5-11-28(29)27-10-4-3-9-25(27)21-33-30(35)20-23-13-15-26(37-2)16-14-23;1-21-15-16-24(28(31)17-21)19-32-29(34)27-14-8-7-13-26(27)25-12-6-5-11-23(25)18-33-30(35)36-20-22-9-3-2-4-10-22;1-33(20-18-25-14-9-10-19-31-25)29(34)28-17-8-7-16-27(28)26-15-6-5-13-24(26)21-32-30(35)36-22-23-11-3-2-4-12-23;1-33-19-16-23(17-20-33)15-18-31-29(34)28-14-8-7-13-27(28)26-12-6-5-11-25(26)21-32-30(35)36-22-24-9-3-2-4-10-24;1-3-5-20-32(21-6-4-2)29(33)28-19-13-12-18-27(28)26-17-11-10-16-25(26)22-31-30(34)35-23-24-14-8-7-9-15-24;33-28(30-18-17-24-13-8-9-19-32(24)35)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-31-29(34)36-21-22-10-2-1-3-11-22;33-28(31-19-17-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-32-29(34)35-21-22-10-2-1-3-11-22;1-2-25-23(27)22-15-9-8-14-21(22)20-13-7-6-12-19(20)16-26-24(28)29-17-18-10-4-3-5-11-18;/h3-16,19,22H,17-18,20-21H2,1-2H3,(H-,32,33,35,36);2-17H,18-20H2,1H3,(H,32,34)(H,33,35);2-17,19H,18,20-22H2,1H3,(H,32,35);2-14,16-17,19-20H,15,18,21-22H2,1H3,(H-,31,32,34,35);7-19H,3-6,20-23H2,1-2H3,(H,31,34);1-16,19H,17-18,20-21H2,(H,30,33)(H,31,34);1-16,18H,17,19-21H2,(H,31,33)(H,32,34);3-15H,2,16-17H2,1H3,(H,25,27)(H,26,28);1H4/p+2.
What are the key properties of benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide?
benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide has a molecular weight of 3761.58 g/mol, XLogP of 41.76, 73 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-[2-(dibutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(ethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-methylpyridin-1-ium-4-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(1-oxidopyridin-1-ium-2-yl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]benzamide is sourced from PubChem (CID 161135302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).