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

C220H239FN18O27 — CID 157090694

IUPACbenzyl 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
SMILESC.CC(=O)C(CC(C)C)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1cccnc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1.CCc1ccc(NC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)(C)C)cc1.COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C32H30N2O5.C29H32N2O4.C27H29FN2O3.2C27H30N2O3.C26H29N3O3.C26H28N2O3.C25H27N3O3.CH4/c1-38-31(36)29(20-23-12-4-2-5-13-23)34-30(35)28-19-11-10-18-27(28)26-17-9-8-16-25(26)21-33-32(37)39-22-24-14-6-3-7-15-24;1-20(2)17-27(21(3)32)31-28(33)26-16-10-9-15-25(26)24-14-8-7-13-23(24)18-30-29(34)35-19-22-11-5-4-6-12-22;1-18-13-14-20(24(28)15-18)17-29-25(31)23-12-8-7-11-22(23)21-10-6-5-9-19(21)16-30-26(32)33-27(2,3)4;1-27(2,3)32-26(31)29-19-21-13-7-8-14-22(21)23-15-9-10-16-24(23)25(30)28-18-17-20-11-5-4-6-12-20;1-5-19-14-16-21(17-15-19)29-25(30)24-13-9-8-12-23(24)22-11-7-6-10-20(22)18-28-26(31)32-27(2,3)4;1-26(2,3)32-25(31)29-18-20-10-4-5-11-21(20)22-12-6-7-13-23(22)24(30)28-16-14-19-9-8-15-27-17-19;1-26(2,3)31-25(30)28-18-20-13-7-8-14-21(20)22-15-9-10-16-23(22)24(29)27-17-19-11-5-4-6-12-19;1-25(2,3)31-24(30)28-16-18-10-4-5-12-20(18)21-13-6-7-14-22(21)23(29)27-17-19-11-8-9-15-26-19;/h2-19,29H,20-22H2,1H3,(H,33,37)(H,34,35);4-16,20,27H,17-19H2,1-3H3,(H,30,34)(H,31,33);5-15H,16-17H2,1-4H3,(H,29,31)(H,30,32);4-16H,17-19H2,1-3H3,(H,28,30)(H,29,31);6-17H,5,18H2,1-4H3,(H,28,31)(H,29,30);4-13,15,17H,14,16,18H2,1-3H3,(H,28,30)(H,29,31);4-16H,17-18H2,1-3H3,(H,27,29)(H,28,30);4-15H,16-17H2,1-3H3,(H,27,29)(H,28,30);1H4
InChIKeyAEPZIIZZMUPAPD-UHFFFAOYSA-N
MW3586.43 g/mol
LogP43.50
Rot. Bonds58

About 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

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 (PubChem CID 157090694) has the molecular formula C220H239FN18O27 and a molecular weight of 3586.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID157090694
Molecular FormulaC220H239FN18O27
Molecular Weight3586.43 g/mol
Exact Mass3583.79
IUPAC Namebenzyl 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
SMILESC.CC(=O)C(CC(C)C)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1cccnc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1.CCc1ccc(NC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)(C)C)cc1.COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C32H30N2O5.C29H32N2O4.C27H29FN2O3.2C27H30N2O3.C26H29N3O3.C26H28N2O3.C25H27N3O3.CH4/c1-38-31(36)29(20-23-12-4-2-5-13-23)34-30(35)28-19-11-10-18-27(28)26-17-9-8-16-25(26)21-33-32(37)39-22-24-14-6-3-7-15-24;1-20(2)17-27(21(3)32)31-28(33)26-16-10-9-15-25(26)24-14-8-7-13-23(24)18-30-29(34)35-19-22-11-5-4-6-12-22;1-18-13-14-20(24(28)15-18)17-29-25(31)23-12-8-7-11-22(23)21-10-6-5-9-19(21)16-30-26(32)33-27(2,3)4;1-27(2,3)32-26(31)29-19-21-13-7-8-14-22(21)23-15-9-10-16-24(23)25(30)28-18-17-20-11-5-4-6-12-20;1-5-19-14-16-21(17-15-19)29-25(30)24-13-9-8-12-23(24)22-11-7-6-10-20(22)18-28-26(31)32-27(2,3)4;1-26(2,3)32-25(31)29-18-20-10-4-5-11-21(20)22-12-6-7-13-23(22)24(30)28-16-14-19-9-8-15-27-17-19;1-26(2,3)31-25(30)28-18-20-13-7-8-14-21(20)22-15-9-10-16-23(22)24(29)27-17-19-11-5-4-6-12-19;1-25(2,3)31-24(30)28-16-18-10-4-5-12-20(18)21-13-6-7-14-22(21)23(29)27-17-19-11-8-9-15-26-19;/h2-19,29H,20-22H2,1H3,(H,33,37)(H,34,35);4-16,20,27H,17-19H2,1-3H3,(H,30,34)(H,31,33);5-15H,16-17H2,1-4H3,(H,29,31)(H,30,32);4-16H,17-19H2,1-3H3,(H,28,30)(H,29,31);6-17H,5,18H2,1-4H3,(H,28,31)(H,29,30);4-13,15,17H,14,16,18H2,1-3H3,(H,28,30)(H,29,31);4-16H,17-18H2,1-3H3,(H,27,29)(H,28,30);4-15H,16-17H2,1-3H3,(H,27,29)(H,28,30);1H4
InChIKeyAEPZIIZZMUPAPD-UHFFFAOYSA-N
XLogP43.50
TPSA608.59 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds58
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003586.43
LogP ≤ 543.50
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978520
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
benzyl 4-methyl-2-[[4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate
CID 73319773
benzyl N-[[4-[[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 90302113
methyl (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]pentanoate
CID 177426606
methyl (2S)-2-[[2-hydroxy-4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methoxy]benzoyl]amino]-3-phenylpropanoate
CID 139721379
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
benzyl N-[[4-[[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185621
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate
CID 156781163

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(=O)C(CC(C)C)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1cccnc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccccn1.CCc1ccc(NC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)(C)C)cc1.COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OC(C)(C)C)c(F)c1.
What is the InChIKey of 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?
The InChIKey is AEPZIIZZMUPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O5.C29H32N2O4.C27H29FN2O3.2C27H30N2O3.C26H29N3O3.C26H28N2O3.C25H27N3O3.CH4/c1-38-31(36)29(20-23-12-4-2-5-13-23)34-30(35)28-19-11-10-18-27(28)26-17-9-8-16-25(26)21-33-32(37)39-22-24-14-6-3-7-15-24;1-20(2)17-27(21(3)32)31-28(33)26-16-10-9-15-25(26)24-14-8-7-13-23(24)18-30-29(34)35-19-22-11-5-4-6-12-22;1-18-13-14-20(24(28)15-18)17-29-25(31)23-12-8-7-11-22(23)21-10-6-5-9-19(21)16-30-26(32)33-27(2,3)4;1-27(2,3)32-26(31)29-19-21-13-7-8-14-22(21)23-15-9-10-16-24(23)25(30)28-18-17-20-11-5-4-6-12-20;1-5-19-14-16-21(17-15-19)29-25(30)24-13-9-8-12-23(24)22-11-7-6-10-20(22)18-28-26(31)32-27(2,3)4;1-26(2,3)32-25(31)29-18-20-10-4-5-11-21(20)22-12-6-7-13-23(22)24(30)28-16-14-19-9-8-15-27-17-19;1-26(2,3)31-25(30)28-18-20-13-7-8-14-21(20)22-15-9-10-16-23(22)24(29)27-17-19-11-5-4-6-12-19;1-25(2,3)31-24(30)28-16-18-10-4-5-12-20(18)21-13-6-7-14-22(21)23(29)27-17-19-11-8-9-15-26-19;/h2-19,29H,20-22H2,1H3,(H,33,37)(H,34,35);4-16,20,27H,17-19H2,1-3H3,(H,30,34)(H,31,33);5-15H,16-17H2,1-4H3,(H,29,31)(H,30,32);4-16H,17-19H2,1-3H3,(H,28,30)(H,29,31);6-17H,5,18H2,1-4H3,(H,28,31)(H,29,30);4-13,15,17H,14,16,18H2,1-3H3,(H,28,30)(H,29,31);4-16H,17-18H2,1-3H3,(H,27,29)(H,28,30);4-15H,16-17H2,1-3H3,(H,27,29)(H,28,30);1H4.
What are the key properties of 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?
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 has a molecular weight of 3586.43 g/mol, XLogP of 43.50, 58 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157090694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).