benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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

C191H201N17O21 — CID 157372518

IUPACbenzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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
SMILESCC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.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.CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C31H30N2O3.C30H28N2O3.C27H30N2O3.2C26H29N3O3.C26H28N2O3.C25H27N3O3/c1-2-33(22-24-13-5-3-6-14-24)30(34)29-20-12-11-19-28(29)27-18-10-9-17-26(27)21-32-31(35)36-23-25-15-7-4-8-16-25;33-29(31-20-19-23-11-3-1-4-12-23)28-18-10-9-17-27(28)26-16-8-7-15-25(26)21-32-30(34)35-22-24-13-5-2-6-14-24;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;1-26(2,3)32-25(31)29-18-19-10-4-5-12-21(19)22-13-6-7-14-23(22)24(30)28-17-15-20-11-8-9-16-27-20;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/h3-20H,2,21-23H2,1H3,(H,32,35);1-18H,19-22H2,(H,31,33)(H,32,34);4-16H,17-19H2,1-3H3,(H,28,30)(H,29,31);4-14,16H,15,17-18H2,1-3H3,(H,28,30)(H,29,31);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)
InChIKeyBJXWDKTZOPTHAL-UHFFFAOYSA-N
MW3070.81 g/mol
LogP37.05
Rot. Bonds51

About benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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

benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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 (PubChem CID 157372518) has the molecular formula C191H201N17O21 and a molecular weight of 3070.81 g/mol. Its IUPAC name is benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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.

Molecular Properties

Compound Namebenzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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
PubChem CID157372518
Molecular FormulaC191H201N17O21
Molecular Weight3070.81 g/mol
Exact Mass3068.52
IUPAC Namebenzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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
SMILESCC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.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.CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C31H30N2O3.C30H28N2O3.C27H30N2O3.2C26H29N3O3.C26H28N2O3.C25H27N3O3/c1-2-33(22-24-13-5-3-6-14-24)30(34)29-20-12-11-19-28(29)27-18-10-9-17-26(27)21-32-31(35)36-23-25-15-7-4-8-16-25;33-29(31-20-19-23-11-3-1-4-12-23)28-18-10-9-17-27(28)26-16-8-7-15-25(26)21-32-30(34)35-22-24-13-5-2-6-14-24;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;1-26(2,3)32-25(31)29-18-19-10-4-5-12-21(19)22-13-6-7-14-23(22)24(30)28-17-15-20-11-8-9-16-27-20;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/h3-20H,2,21-23H2,1H3,(H,32,35);1-18H,19-22H2,(H,31,33)(H,32,34);4-16H,17-19H2,1-3H3,(H,28,30)(H,29,31);4-14,16H,15,17-18H2,1-3H3,(H,28,30)(H,29,31);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)
InChIKeyBJXWDKTZOPTHAL-UHFFFAOYSA-N
XLogP37.05
TPSA501.89 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds51
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003070.81
LogP ≤ 537.05
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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?
The IUPAC name of benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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 157372518) is benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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.
What is the SMILES notation for benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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?
The canonical SMILES for benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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 is CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.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.CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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?
The InChIKey is BJXWDKTZOPTHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3.C30H28N2O3.C27H30N2O3.2C26H29N3O3.C26H28N2O3.C25H27N3O3/c1-2-33(22-24-13-5-3-6-14-24)30(34)29-20-12-11-19-28(29)27-18-10-9-17-26(27)21-32-31(35)36-23-25-15-7-4-8-16-25;33-29(31-20-19-23-11-3-1-4-12-23)28-18-10-9-17-27(28)26-16-8-7-15-25(26)21-32-30(34)35-22-24-13-5-2-6-14-24;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;1-26(2,3)32-25(31)29-18-19-10-4-5-12-21(19)22-13-6-7-14-23(22)24(30)28-17-15-20-11-8-9-16-27-20;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/h3-20H,2,21-23H2,1H3,(H,32,35);1-18H,19-22H2,(H,31,33)(H,32,34);4-16H,17-19H2,1-3H3,(H,28,30)(H,29,31);4-14,16H,15,17-18H2,1-3H3,(H,28,30)(H,29,31);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).
What are the key properties of benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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?
benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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 has a molecular weight of 3070.81 g/mol, XLogP of 37.05, 51 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)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 is sourced from PubChem (CID 157372518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).