(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol

C34H40N2O — CID 164627928

IUPAC(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H40N2O/c1-34(2,30-21-13-6-14-22-30)36-26-33(37)32(25-27-15-7-3-8-16-27)35-24-23-31(28-17-9-4-10-18-28)29-19-11-5-12-20-29/h3-22,31-33,35-37H,23-26H2,1-2H3/t32-,33+/m0/s1
InChIKeyHTRWHSIODNCCFP-JHOUSYSJSA-N
MW492.71 g/mol
LogP6.30
Rot. Bonds13

About (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol

(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol (PubChem CID 164627928) has the molecular formula C34H40N2O and a molecular weight of 492.71 g/mol. Its IUPAC name is (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol
PubChem CID164627928
Molecular FormulaC34H40N2O
Molecular Weight492.71 g/mol
Exact Mass492.31
IUPAC Name(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H40N2O/c1-34(2,30-21-13-6-14-22-30)36-26-33(37)32(25-27-15-7-3-8-16-27)35-24-23-31(28-17-9-4-10-18-28)29-19-11-5-12-20-29/h3-22,31-33,35-37H,23-26H2,1-2H3/t32-,33+/m0/s1
InChIKeyHTRWHSIODNCCFP-JHOUSYSJSA-N
XLogP6.30
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol?
The IUPAC name of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol (CID 164627928) is (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol is CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol?
The InChIKey is HTRWHSIODNCCFP-JHOUSYSJSA-N. The full InChI is InChI=1S/C34H40N2O/c1-34(2,30-21-13-6-14-22-30)36-26-33(37)32(25-27-15-7-3-8-16-27)35-24-23-31(28-17-9-4-10-18-28)29-19-11-5-12-20-29/h3-22,31-33,35-37H,23-26H2,1-2H3/t32-,33+/m0/s1.
What are the key properties of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol?
(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol has a molecular weight of 492.71 g/mol, XLogP of 6.30, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol is sourced from PubChem (CID 164627928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).