[(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate

C28H30N2O2 — CID 175114057

IUPAC[(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](Cc1ccccc1)Cc1c[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C28H30N2O2/c1-28(2,3)30-27(31)32-24(16-20-10-6-4-7-11-20)17-23-19-29-26-15-14-22(18-25(23)26)21-12-8-5-9-13-21/h4-15,18-19,24,29H,16-17H2,1-3H3,(H,30,31)/t24-/m1/s1
InChIKeyXIKTXDAARMCIIN-XMMPIXPASA-N
MW426.56 g/mol
LogP6.51
Rot. Bonds6

About [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate

[(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate (PubChem CID 175114057) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate
PubChem CID175114057
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name[(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](Cc1ccccc1)Cc1c[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C28H30N2O2/c1-28(2,3)30-27(31)32-24(16-20-10-6-4-7-11-20)17-23-19-29-26-15-14-22(18-25(23)26)21-12-8-5-9-13-21/h4-15,18-19,24,29H,16-17H2,1-3H3,(H,30,31)/t24-/m1/s1
InChIKeyXIKTXDAARMCIIN-XMMPIXPASA-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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Related Compounds

2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-3-(1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate
CID 91308053
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625
tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
CID 70053183
(2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 25111495
2-acetamido-3-[5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]propanoic acid
CID 167891871
[1-amino-3-(1H-indol-3-yl)propan-2-yl] N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
CID 67666611
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 142424412
(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54530999
(4-phenylphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 67802938
2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate
CID 174634033

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate (CID 175114057) is [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H](Cc1ccccc1)Cc1c[nH]c2ccc(-c3ccccc3)cc12.
What is the InChIKey of [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate?
The InChIKey is XIKTXDAARMCIIN-XMMPIXPASA-N. The full InChI is InChI=1S/C28H30N2O2/c1-28(2,3)30-27(31)32-24(16-20-10-6-4-7-11-20)17-23-19-29-26-15-14-22(18-25(23)26)21-12-8-5-9-13-21/h4-15,18-19,24,29H,16-17H2,1-3H3,(H,30,31)/t24-/m1/s1.
What are the key properties of [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate?
[(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate 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 [(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175114057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).