(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol

C32H36N2O — CID 164609916

IUPAC(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
SMILESC[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2O/c1-25(27-16-8-3-9-17-27)33-24-32(35)31(22-26-14-6-2-7-15-26)34-23-30(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25,30-35H,22-24H2,1H3/t25-,31-,32+/m0/s1
InChIKeyCOHDKWGFXGVKNA-FWGANANOSA-N
MW464.65 g/mol
LogP5.73
Rot. Bonds12

About (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol

(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol (PubChem CID 164609916) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
PubChem CID164609916
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
SMILESC[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2O/c1-25(27-16-8-3-9-17-27)33-24-32(35)31(22-26-14-6-2-7-15-26)34-23-30(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25,30-35H,22-24H2,1H3/t25-,31-,32+/m0/s1
InChIKeyCOHDKWGFXGVKNA-FWGANANOSA-N
XLogP5.73
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The IUPAC name of (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol (CID 164609916) is (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol is C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The InChIKey is COHDKWGFXGVKNA-FWGANANOSA-N. The full InChI is InChI=1S/C32H36N2O/c1-25(27-16-8-3-9-17-27)33-24-32(35)31(22-26-14-6-2-7-15-26)34-23-30(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25,30-35H,22-24H2,1H3/t25-,31-,32+/m0/s1.
What are the key properties of (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol?
(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol has a molecular weight of 464.65 g/mol, XLogP of 5.73, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol is sourced from PubChem (CID 164609916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).