[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate

C30H29N3O3 — CID 10939752

IUPAC[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESC[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25/h2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35)/t22-/m1/s1
InChIKeyINIUOCWMNJACSH-JOCHJYFZSA-N
MW479.58 g/mol
LogP5.71
Rot. Bonds9

About [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate

[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate (PubChem CID 10939752) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
PubChem CID10939752
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESC[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C30H29N3O3/c1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25/h2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35)/t22-/m1/s1
InChIKeyINIUOCWMNJACSH-JOCHJYFZSA-N
XLogP5.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate (CID 10939752) is [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate is C[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The InChIKey is INIUOCWMNJACSH-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25/h2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35)/t22-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate?
[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate has a molecular weight of 479.58 g/mol, XLogP of 5.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 10939752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).