(E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol

C25H27NO — CID 56588629

IUPAC(E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol
SMILESO[C@@H](Cc1ccccc1)[C@@H](/C=C/c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C25H27NO/c27-25(20-23-14-8-3-9-15-23)24(17-16-21-10-4-1-5-11-21)26-19-18-22-12-6-2-7-13-22/h1-17,24-27H,18-20H2/b17-16+/t24-,25+/m1/s1
InChIKeyUNDDMQPNYBZNHS-KLXHEQSOSA-N
MW357.50 g/mol
LogP4.50
Rot. Bonds9

About (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol

(E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol (PubChem CID 56588629) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol
PubChem CID56588629
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name(E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol
SMILESO[C@@H](Cc1ccccc1)[C@@H](/C=C/c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C25H27NO/c27-25(20-23-14-8-3-9-15-23)24(17-16-21-10-4-1-5-11-21)26-19-18-22-12-6-2-7-13-22/h1-17,24-27H,18-20H2/b17-16+/t24-,25+/m1/s1
InChIKeyUNDDMQPNYBZNHS-KLXHEQSOSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol?
The IUPAC name of (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol (CID 56588629) is (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol.
What is the SMILES notation for (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol?
The canonical SMILES for (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol is O[C@@H](Cc1ccccc1)[C@@H](/C=C/c1ccccc1)NCCc1ccccc1.
What is the InChIKey of (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol?
The InChIKey is UNDDMQPNYBZNHS-KLXHEQSOSA-N. The full InChI is InChI=1S/C25H27NO/c27-25(20-23-14-8-3-9-15-23)24(17-16-21-10-4-1-5-11-21)26-19-18-22-12-6-2-7-13-22/h1-17,24-27H,18-20H2/b17-16+/t24-,25+/m1/s1.
What are the key properties of (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol?
(E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol has a molecular weight of 357.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-1,5-diphenyl-3-(2-phenylethylamino)pent-4-en-2-ol is sourced from PubChem (CID 56588629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).