(2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol

C32H36N2O — CID 164623763

IUPAC(2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
SMILESO[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2O/c35-32(25-33-24-27-15-7-2-8-16-27)31(23-26-13-5-1-6-14-26)34-22-21-30(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t31-,32-/m0/s1
InChIKeySXFRVTNEKMZFOT-ACHIHNKUSA-N
MW464.65 g/mol
LogP5.56
Rot. Bonds13

About (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol

(2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol (PubChem CID 164623763) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
PubChem CID164623763
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name(2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
SMILESO[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H36N2O/c35-32(25-33-24-27-15-7-2-8-16-27)31(23-26-13-5-1-6-14-26)34-22-21-30(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t31-,32-/m0/s1
InChIKeySXFRVTNEKMZFOT-ACHIHNKUSA-N
XLogP5.56
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
The IUPAC name of (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol (CID 164623763) is (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol.
What is the SMILES notation for (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
The canonical SMILES for (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol is O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
The InChIKey is SXFRVTNEKMZFOT-ACHIHNKUSA-N. The full InChI is InChI=1S/C32H36N2O/c35-32(25-33-24-27-15-7-2-8-16-27)31(23-26-13-5-1-6-14-26)34-22-21-30(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t31-,32-/m0/s1.
What are the key properties of (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol?
(2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol has a molecular weight of 464.65 g/mol, XLogP of 5.56, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol is sourced from PubChem (CID 164623763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).