tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate

C28H30N2O2 — CID 138984731

IUPACtert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C28H30N2O2/c1-28(2,3)32-27(31)29-22(18-20-12-6-4-7-13-20)19-24-23-16-10-11-17-25(23)30-26(24)21-14-8-5-9-15-21/h4-17,22,30H,18-19H2,1-3H3,(H,29,31)/t22-/m1/s1
InChIKeyZGXOMSXYLSVVSM-JOCHJYFZSA-N
MW426.56 g/mol
LogP6.51
Rot. Bonds6

About tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate (PubChem CID 138984731) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate
PubChem CID138984731
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Nametert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccccc1)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C28H30N2O2/c1-28(2,3)32-27(31)29-22(18-20-12-6-4-7-13-20)19-24-23-16-10-11-17-25(23)30-26(24)21-14-8-5-9-15-21/h4-17,22,30H,18-19H2,1-3H3,(H,29,31)/t22-/m1/s1
InChIKeyZGXOMSXYLSVVSM-JOCHJYFZSA-N
XLogP6.51
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate (CID 138984731) is tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate?
The InChIKey is ZGXOMSXYLSVVSM-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-28(2,3)32-27(31)29-22(18-20-12-6-4-7-13-20)19-24-23-16-10-11-17-25(23)30-26(24)21-14-8-5-9-15-21/h4-17,22,30H,18-19H2,1-3H3,(H,29,31)/t22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 138984731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).