benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate

C120H115FN12O11 — CID 90818404

IUPACbenzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1cccnc1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)CCc2ncccn2)c(F)c1.Cc1cccc(CNC(=O)OCc2ccccc2)c1-c1c(C)cccc1C(=O)NCCc1ccccn1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C31H31N3O3.C30H29N3O3.C30H28N2O3.C29H27FN4O2/c1-22-10-8-14-25(20-34-31(36)37-21-24-12-4-3-5-13-24)28(22)29-23(2)11-9-16-27(29)30(35)33-19-17-26-15-6-7-18-32-26;1-22(24-11-3-2-4-12-24)36-30(35)33-21-25-13-5-6-14-26(25)27-15-7-8-16-28(27)29(34)32-19-17-23-10-9-18-31-20-23;33-29(31-21-24-13-5-2-6-14-24)28-18-10-9-17-27(28)26-16-8-7-15-25(26)22-32-30(34)35-20-19-23-11-3-1-4-12-23;1-20-11-12-22(26(30)17-20)19-34-29(36)25-10-5-4-9-24(25)23-8-3-2-7-21(23)18-33-28(35)14-13-27-31-15-6-16-32-27/h3-16,18H,17,19-21H2,1-2H3,(H,33,35)(H,34,36);2-16,18,20,22H,17,19,21H2,1H3,(H,32,34)(H,33,35);1-18H,19-22H2,(H,31,33)(H,32,34);2-12,15-17H,13-14,18-19H2,1H3,(H,33,35)(H,34,36)/t;22-;;/m.0../s1
InChIKeyBNARTMCLMWYHHN-HRRNSCMASA-N
MW1920.31 g/mol
LogP22.00
Rot. Bonds36

About benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate

benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate (PubChem CID 90818404) has the molecular formula C120H115FN12O11 and a molecular weight of 1920.31 g/mol. Its IUPAC name is benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
PubChem CID90818404
Molecular FormulaC120H115FN12O11
Molecular Weight1920.31 g/mol
Exact Mass1918.88
IUPAC Namebenzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESC[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1cccnc1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)CCc2ncccn2)c(F)c1.Cc1cccc(CNC(=O)OCc2ccccc2)c1-c1c(C)cccc1C(=O)NCCc1ccccn1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C31H31N3O3.C30H29N3O3.C30H28N2O3.C29H27FN4O2/c1-22-10-8-14-25(20-34-31(36)37-21-24-12-4-3-5-13-24)28(22)29-23(2)11-9-16-27(29)30(35)33-19-17-26-15-6-7-18-32-26;1-22(24-11-3-2-4-12-24)36-30(35)33-21-25-13-5-6-14-26(25)27-15-7-8-16-28(27)29(34)32-19-17-23-10-9-18-31-20-23;33-29(31-21-24-13-5-2-6-14-24)28-18-10-9-17-27(28)26-16-8-7-15-25(26)22-32-30(34)35-20-19-23-11-3-1-4-12-23;1-20-11-12-22(26(30)17-20)19-34-29(36)25-10-5-4-9-24(25)23-8-3-2-7-21(23)18-33-28(35)14-13-27-31-15-6-16-32-27/h3-16,18H,17,19-21H2,1-2H3,(H,33,35)(H,34,36);2-16,18,20,22H,17,19,21H2,1H3,(H,32,34)(H,33,35);1-18H,19-22H2,(H,31,33)(H,32,34);2-12,15-17H,13-14,18-19H2,1H3,(H,33,35)(H,34,36)/t;22-;;/m.0../s1
InChIKeyBNARTMCLMWYHHN-HRRNSCMASA-N
XLogP22.00
TPSA312.05 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001920.31
LogP ≤ 522.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate (CID 90818404) is benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate is C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1cccnc1)c1ccccc1.Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)CCc2ncccn2)c(F)c1.Cc1cccc(CNC(=O)OCc2ccccc2)c1-c1c(C)cccc1C(=O)NCCc1ccccn1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccccc1)OCCc1ccccc1.
What is the InChIKey of benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The InChIKey is BNARTMCLMWYHHN-HRRNSCMASA-N. The full InChI is InChI=1S/C31H31N3O3.C30H29N3O3.C30H28N2O3.C29H27FN4O2/c1-22-10-8-14-25(20-34-31(36)37-21-24-12-4-3-5-13-24)28(22)29-23(2)11-9-16-27(29)30(35)33-19-17-26-15-6-7-18-32-26;1-22(24-11-3-2-4-12-24)36-30(35)33-21-25-13-5-6-14-26(25)27-15-7-8-16-28(27)29(34)32-19-17-23-10-9-18-31-20-23;33-29(31-21-24-13-5-2-6-14-24)28-18-10-9-17-27(28)26-16-8-7-15-25(26)22-32-30(34)35-20-19-23-11-3-1-4-12-23;1-20-11-12-22(26(30)17-20)19-34-29(36)25-10-5-4-9-24(25)23-8-3-2-7-21(23)18-33-28(35)14-13-27-31-15-6-16-32-27/h3-16,18H,17,19-21H2,1-2H3,(H,33,35)(H,34,36);2-16,18,20,22H,17,19,21H2,1H3,(H,32,34)(H,33,35);1-18H,19-22H2,(H,31,33)(H,32,34);2-12,15-17H,13-14,18-19H2,1H3,(H,33,35)(H,34,36)/t;22-;;/m.0../s1.
What are the key properties of benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate has a molecular weight of 1920.31 g/mol, XLogP of 22.00, 36 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-methyl-2-[2-methyl-6-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;N-[(2-fluoro-4-methylphenyl)methyl]-2-[2-[(3-pyrimidin-2-ylpropanoylamino)methyl]phenyl]benzamide;2-phenylethyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 90818404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).