N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide

C32H34N2O2 — CID 164616358

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide
SMILESC[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34N2O2/c1-24(26-16-8-3-9-17-26)33-23-30(35)29(22-25-14-6-2-7-15-25)34-32(36)31(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,24,29-31,33,35H,22-23H2,1H3,(H,34,36)/t24-,29-,30+/m0/s1
InChIKeyDYTURKHMGUMVBB-QZFRTWIZSA-N
MW478.64 g/mol
LogP5.26
Rot. Bonds11

About N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide

N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide (PubChem CID 164616358) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide
PubChem CID164616358
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide
SMILESC[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34N2O2/c1-24(26-16-8-3-9-17-26)33-23-30(35)29(22-25-14-6-2-7-15-25)34-32(36)31(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,24,29-31,33,35H,22-23H2,1H3,(H,34,36)/t24-,29-,30+/m0/s1
InChIKeyDYTURKHMGUMVBB-QZFRTWIZSA-N
XLogP5.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide (CID 164616358) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide is C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide?
The InChIKey is DYTURKHMGUMVBB-QZFRTWIZSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-24(26-16-8-3-9-17-26)33-23-30(35)29(22-25-14-6-2-7-15-25)34-32(36)31(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,24,29-31,33,35H,22-23H2,1H3,(H,34,36)/t24-,29-,30+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide has a molecular weight of 478.64 g/mol, XLogP of 5.26, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 164616358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).