N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide

C32H34N2O2 — CID 164623843

IUPACN-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1
InChIInChI=1S/C32H34N2O2/c35-31(24-33-23-26-15-7-2-8-16-26)30(21-25-13-5-1-6-14-25)34-32(36)22-29(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33,35H,21-24H2,(H,34,36)/t30-,31+/m0/s1
InChIKeyYOQXSWBHQDKMDY-IOWSJCHKSA-N
MW478.64 g/mol
LogP5.09
Rot. Bonds12

About N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide

N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide (PubChem CID 164623843) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
PubChem CID164623843
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC NameN-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1
InChIInChI=1S/C32H34N2O2/c35-31(24-33-23-26-15-7-2-8-16-26)30(21-25-13-5-1-6-14-25)34-32(36)22-29(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33,35H,21-24H2,(H,34,36)/t30-,31+/m0/s1
InChIKeyYOQXSWBHQDKMDY-IOWSJCHKSA-N
XLogP5.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide 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 N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide (CID 164623843) is N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1.
What is the InChIKey of N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
The InChIKey is YOQXSWBHQDKMDY-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H34N2O2/c35-31(24-33-23-26-15-7-2-8-16-26)30(21-25-13-5-1-6-14-25)34-32(36)22-29(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31,33,35H,21-24H2,(H,34,36)/t30-,31+/m0/s1.
What are the key properties of N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide?
N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 478.64 g/mol, XLogP of 5.09, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 164623843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).