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

C225H236F6N20O24 — CID 159285461

IUPACbenzyl 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
SMILESC.C.CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CCCCOC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCC(C)C.CCCCOC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.CCC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCCCC(F)(F)F)c(F)c1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccc(F)cc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)OCc1ccccc1
InChIInChI=1S/C32H33N3O3.C30H26F2N2O3.C29H27N3O3.C28H25N3O3.C27H26F4N2O3.C27H30N2O3.C26H29N3O3.C24H32N2O3.2CH4/c1-2-12-30(24-13-4-3-5-14-24)38-32(37)35-23-25-15-6-7-17-27(25)28-18-8-9-19-29(28)31(36)34-22-20-26-16-10-11-21-33-26;1-20-10-13-23(28(32)16-20)18-33-29(35)27-9-5-4-8-26(27)25-7-3-2-6-22(25)17-34-30(36)37-19-21-11-14-24(31)15-12-21;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;32-27(30-19-23-13-8-9-17-29-23)26-16-7-6-15-25(26)24-14-5-4-12-22(24)18-31-28(33)34-20-21-10-2-1-3-11-21;1-18-11-12-20(24(28)15-18)17-32-25(34)23-10-5-4-9-22(23)21-8-3-2-7-19(21)16-33-26(35)36-14-6-13-27(29,30)31;1-20(2)16-17-28-26(30)25-15-9-8-14-24(25)23-13-7-6-12-22(23)18-29-27(31)32-19-21-10-4-3-5-11-21;1-2-3-18-32-26(31)29-19-20-10-4-5-12-22(20)23-13-6-7-14-24(23)25(30)28-17-15-21-11-8-9-16-27-21;1-4-5-16-29-24(28)26-17-19-10-6-7-11-20(19)21-12-8-9-13-22(21)23(27)25-15-14-18(2)3;;/h3-11,13-19,21,30H,2,12,20,22-23H2,1H3,(H,34,36)(H,35,37);2-16H,17-19H2,1H3,(H,33,35)(H,34,36);1-16,18H,17,19-21H2,(H,31,33)(H,32,34);1-17H,18-20H2,(H,30,32)(H,31,33);2-5,7-12,15H,6,13-14,16-17H2,1H3,(H,32,34)(H,33,35);3-15,20H,16-19H2,1-2H3,(H,28,30)(H,29,31);4-14,16H,2-3,15,17-19H2,1H3,(H,28,30)(H,29,31);6-13,18H,4-5,14-17H2,1-3H3,(H,25,27)(H,26,28);2*1H4/t30-;;;;;;;;;/m0........./s1
InChIKeyKZLLIOIAUQYILO-ZZFJNPRWSA-N
MW3718.47 g/mol
LogP46.07
Rot. Bonds74

About 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

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 (PubChem CID 159285461) has the molecular formula C225H236F6N20O24 and a molecular weight of 3718.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID159285461
Molecular FormulaC225H236F6N20O24
Molecular Weight3718.47 g/mol
Exact Mass3715.78
IUPAC Namebenzyl 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
SMILESC.C.CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CCCCOC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCC(C)C.CCCCOC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.CCC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCCCC(F)(F)F)c(F)c1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccc(F)cc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)OCc1ccccc1
InChIInChI=1S/C32H33N3O3.C30H26F2N2O3.C29H27N3O3.C28H25N3O3.C27H26F4N2O3.C27H30N2O3.C26H29N3O3.C24H32N2O3.2CH4/c1-2-12-30(24-13-4-3-5-14-24)38-32(37)35-23-25-15-6-7-17-27(25)28-18-8-9-19-29(28)31(36)34-22-20-26-16-10-11-21-33-26;1-20-10-13-23(28(32)16-20)18-33-29(35)27-9-5-4-8-26(27)25-7-3-2-6-22(25)17-34-30(36)37-19-21-11-14-24(31)15-12-21;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;32-27(30-19-23-13-8-9-17-29-23)26-16-7-6-15-25(26)24-14-5-4-12-22(24)18-31-28(33)34-20-21-10-2-1-3-11-21;1-18-11-12-20(24(28)15-18)17-32-25(34)23-10-5-4-9-22(23)21-8-3-2-7-19(21)16-33-26(35)36-14-6-13-27(29,30)31;1-20(2)16-17-28-26(30)25-15-9-8-14-24(25)23-13-7-6-12-22(23)18-29-27(31)32-19-21-10-4-3-5-11-21;1-2-3-18-32-26(31)29-19-20-10-4-5-12-22(20)23-13-6-7-14-24(23)25(30)28-17-15-21-11-8-9-16-27-21;1-4-5-16-29-24(28)26-17-19-10-6-7-11-20(19)21-12-8-9-13-22(21)23(27)25-15-14-18(2)3;;/h3-11,13-19,21,30H,2,12,20,22-23H2,1H3,(H,34,36)(H,35,37);2-16H,17-19H2,1H3,(H,33,35)(H,34,36);1-16,18H,17,19-21H2,(H,31,33)(H,32,34);1-17H,18-20H2,(H,30,32)(H,31,33);2-5,7-12,15H,6,13-14,16-17H2,1H3,(H,32,34)(H,33,35);3-15,20H,16-19H2,1-2H3,(H,28,30)(H,29,31);4-14,16H,2-3,15,17-19H2,1H3,(H,28,30)(H,29,31);6-13,18H,4-5,14-17H2,1-3H3,(H,25,27)(H,26,28);2*1H4/t30-;;;;;;;;;/m0........./s1
InChIKeyKZLLIOIAUQYILO-ZZFJNPRWSA-N
XLogP46.07
TPSA591.00 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds74
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003718.47
LogP ≤ 546.07
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[[2-[2-[(5-methyl-2-oxohexan-3-yl)carbamoyl]phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-[(4-ethylphenyl)carbamoyl]phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;methane;methyl 3-phenyl-2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]propanoate
CID 157090694
benzyl N-[[2-[4-[[4-[4-[3-[[[(2R)-butan-2-yl]oxycarbonylamino]methyl]-4-[2-[(6-methyl-2-pyridinyl)methylcarbamoyl]phenyl]phenyl]-2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-3-(2-pyridin-2-ylethylcarbamoyl)phenyl]sulfamoyl]-2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 160972536
(4-fluorophenyl)methyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978511
2-[2-[(butoxycarbonylamino)methyl]phenyl]benzoic acid;2-pyridin-2-ylethanamine
CID 172761323
benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978520
N-benzyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;2-[2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;bis(2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-phenylethyl)benzamide);2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide
CID 123600471
2-pyridin-2-ylethanamine;2-[2-[[[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]carbonylamino]methyl]phenyl]benzoic acid
CID 171931962
2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
CID 18108915
phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978589
tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-[(4-ethylphenyl)carbamoyl]phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 91582619
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CCCCOC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCC(C)C.CCCCOC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.CCC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCCCC(F)(F)F)c(F)c1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccc(F)cc2)c(F)c1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1)OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is KZLLIOIAUQYILO-ZZFJNPRWSA-N. The full InChI is InChI=1S/C32H33N3O3.C30H26F2N2O3.C29H27N3O3.C28H25N3O3.C27H26F4N2O3.C27H30N2O3.C26H29N3O3.C24H32N2O3.2CH4/c1-2-12-30(24-13-4-3-5-14-24)38-32(37)35-23-25-15-6-7-17-27(25)28-18-8-9-19-29(28)31(36)34-22-20-26-16-10-11-21-33-26;1-20-10-13-23(28(32)16-20)18-33-29(35)27-9-5-4-8-26(27)25-7-3-2-6-22(25)17-34-30(36)37-19-21-11-14-24(31)15-12-21;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;32-27(30-19-23-13-8-9-17-29-23)26-16-7-6-15-25(26)24-14-5-4-12-22(24)18-31-28(33)34-20-21-10-2-1-3-11-21;1-18-11-12-20(24(28)15-18)17-32-25(34)23-10-5-4-9-22(23)21-8-3-2-7-19(21)16-33-26(35)36-14-6-13-27(29,30)31;1-20(2)16-17-28-26(30)25-15-9-8-14-24(25)23-13-7-6-12-22(23)18-29-27(31)32-19-21-10-4-3-5-11-21;1-2-3-18-32-26(31)29-19-20-10-4-5-12-22(20)23-13-6-7-14-24(23)25(30)28-17-15-21-11-8-9-16-27-21;1-4-5-16-29-24(28)26-17-19-10-6-7-11-20(19)21-12-8-9-13-22(21)23(27)25-15-14-18(2)3;;/h3-11,13-19,21,30H,2,12,20,22-23H2,1H3,(H,34,36)(H,35,37);2-16H,17-19H2,1H3,(H,33,35)(H,34,36);1-16,18H,17,19-21H2,(H,31,33)(H,32,34);1-17H,18-20H2,(H,30,32)(H,31,33);2-5,7-12,15H,6,13-14,16-17H2,1H3,(H,32,34)(H,33,35);3-15,20H,16-19H2,1-2H3,(H,28,30)(H,29,31);4-14,16H,2-3,15,17-19H2,1H3,(H,28,30)(H,29,31);6-13,18H,4-5,14-17H2,1-3H3,(H,25,27)(H,26,28);2*1H4/t30-;;;;;;;;;/m0........./s1.
What are the key properties of 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?
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 has a molecular weight of 3718.47 g/mol, XLogP of 46.07, 74 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159285461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).