(2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide

C22H20N2O3 — CID 163163352

IUPAC(2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide
SMILES[O-][NH+](O)c1cc2c(cc1C=Cc1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2
InChIInChI=1S/C22H20N2O3/c25-22-18-13-17(12-11-15-7-3-1-4-8-15)20(24(26)27)14-19(18)23-21(22)16-9-5-2-6-10-16/h1-14,21-26H/t21-,22-/m1/s1
InChIKeyRTSIETNNSXBFDX-FGZHOGPDSA-N
MW360.41 g/mol
LogP3.46
Rot. Bonds4

About (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide

(2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide (PubChem CID 163163352) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide.

Molecular Properties

Compound Name(2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide
PubChem CID163163352
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide
SMILES[O-][NH+](O)c1cc2c(cc1C=Cc1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2
InChIInChI=1S/C22H20N2O3/c25-22-18-13-17(12-11-15-7-3-1-4-8-15)20(24(26)27)14-19(18)23-21(22)16-9-5-2-6-10-16/h1-14,21-26H/t21-,22-/m1/s1
InChIKeyRTSIETNNSXBFDX-FGZHOGPDSA-N
XLogP3.46
TPSA79.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide?
The IUPAC name of (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide (CID 163163352) is (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide.
What is the SMILES notation for (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide?
The canonical SMILES for (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide is [O-][NH+](O)c1cc2c(cc1C=Cc1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2.
What is the InChIKey of (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide?
The InChIKey is RTSIETNNSXBFDX-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-22-18-13-17(12-11-15-7-3-1-4-8-15)20(24(26)27)14-19(18)23-21(22)16-9-5-2-6-10-16/h1-14,21-26H/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide?
(2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide has a molecular weight of 360.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,3-dihydroxy-2-phenyl-5-(2-phenylethenyl)-2,3-dihydro-1H-indol-6-amine oxide is sourced from PubChem (CID 163163352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).