N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline

C32H30N2O2 — CID 27162350

IUPACN-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline
SMILESc1ccc(-c2cc3ccccc3n2C[C@H](CN(c2ccccc2)c2ccccc2)OC[C@H]2CO2)cc1
InChIInChI=1S/C32H30N2O2/c1-4-12-25(13-5-1)32-20-26-14-10-11-19-31(26)34(32)22-29(35-23-30-24-36-30)21-33(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-20,29-30H,21-24H2/t29-,30-/m0/s1
InChIKeyRAXSXZWSSVQMFN-KYJUHHDHSA-N
MW474.60 g/mol
LogP6.93
Rot. Bonds10

About N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline

N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline (PubChem CID 27162350) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline
PubChem CID27162350
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC NameN-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline
SMILESc1ccc(-c2cc3ccccc3n2C[C@H](CN(c2ccccc2)c2ccccc2)OC[C@H]2CO2)cc1
InChIInChI=1S/C32H30N2O2/c1-4-12-25(13-5-1)32-20-26-14-10-11-19-31(26)34(32)22-29(35-23-30-24-36-30)21-33(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-20,29-30H,21-24H2/t29-,30-/m0/s1
InChIKeyRAXSXZWSSVQMFN-KYJUHHDHSA-N
XLogP6.93
TPSA29.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline?
The IUPAC name of N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline (CID 27162350) is N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline.
What is the SMILES notation for N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline?
The canonical SMILES for N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline is c1ccc(-c2cc3ccccc3n2C[C@H](CN(c2ccccc2)c2ccccc2)OC[C@H]2CO2)cc1.
What is the InChIKey of N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline?
The InChIKey is RAXSXZWSSVQMFN-KYJUHHDHSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-4-12-25(13-5-1)32-20-26-14-10-11-19-31(26)34(32)22-29(35-23-30-24-36-30)21-33(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-20,29-30H,21-24H2/t29-,30-/m0/s1.
What are the key properties of N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline?
N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline has a molecular weight of 474.60 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-3-(2-phenylindol-1-yl)propyl]-N-phenylaniline is sourced from PubChem (CID 27162350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).