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

C33H38N2O — CID 164621650

IUPAC(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
SMILESC[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38N2O/c1-26(28-16-8-3-9-17-28)35-25-33(36)32(24-27-14-6-2-7-15-27)34-23-22-31(29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-21,26,31-36H,22-25H2,1H3/t26-,32-,33+/m0/s1
InChIKeyUNVCFZXHNFZPFJ-FRJUPVQCSA-N
MW478.68 g/mol
LogP6.12
Rot. Bonds13

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

(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol (PubChem CID 164621650) has the molecular formula C33H38N2O and a molecular weight of 478.68 g/mol. Its IUPAC name is (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
PubChem CID164621650
Molecular FormulaC33H38N2O
Molecular Weight478.68 g/mol
Exact Mass478.30
IUPAC Name(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
SMILESC[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H38N2O/c1-26(28-16-8-3-9-17-28)35-25-33(36)32(24-27-14-6-2-7-15-27)34-23-22-31(29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-21,26,31-36H,22-25H2,1H3/t26-,32-,33+/m0/s1
InChIKeyUNVCFZXHNFZPFJ-FRJUPVQCSA-N
XLogP6.12
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 56.12
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-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The IUPAC name of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol (CID 164621650) is (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol is C[C@H](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-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The InChIKey is UNVCFZXHNFZPFJ-FRJUPVQCSA-N. The full InChI is InChI=1S/C33H38N2O/c1-26(28-16-8-3-9-17-28)35-25-33(36)32(24-27-14-6-2-7-15-27)34-23-22-31(29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-21,26,31-36H,22-25H2,1H3/t26-,32-,33+/m0/s1.
What are the key properties of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol?
(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol has a molecular weight of 478.68 g/mol, XLogP of 6.12, 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-[[(1S)-1-phenylethyl]amino]butan-2-ol is sourced from PubChem (CID 164621650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).