N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide

C32H34N2O2 — CID 71719445

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C32H34N2O2/c1-32(2,28-19-10-5-11-20-28)33-23-30(35)29(21-24-13-6-3-7-14-24)34-31(36)27-18-12-17-26(22-27)25-15-8-4-9-16-25/h3-20,22,29-30,33,35H,21,23H2,1-2H3,(H,34,36)/t29-,30+/m0/s1
InChIKeyZOQWYSPZXIRJLY-XZWHSSHBSA-N
MW478.64 g/mol
LogP5.58
Rot. Bonds10

About N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide

N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide (PubChem CID 71719445) 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-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide
PubChem CID71719445
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C32H34N2O2/c1-32(2,28-19-10-5-11-20-28)33-23-30(35)29(21-24-13-6-3-7-14-24)34-31(36)27-18-12-17-26(22-27)25-15-8-4-9-16-25/h3-20,22,29-30,33,35H,21,23H2,1-2H3,(H,34,36)/t29-,30+/m0/s1
InChIKeyZOQWYSPZXIRJLY-XZWHSSHBSA-N
XLogP5.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.58
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-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide (CID 71719445) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide is CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide?
The InChIKey is ZOQWYSPZXIRJLY-XZWHSSHBSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-32(2,28-19-10-5-11-20-28)33-23-30(35)29(21-24-13-6-3-7-14-24)34-31(36)27-18-12-17-26(22-27)25-15-8-4-9-16-25/h3-20,22,29-30,33,35H,21,23H2,1-2H3,(H,34,36)/t29-,30+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide has a molecular weight of 478.64 g/mol, XLogP of 5.58, 10 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-(2-phenylpropan-2-ylamino)butan-2-yl]-3-phenylbenzamide is sourced from PubChem (CID 71719445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).