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

C34H38N2O2 — CID 164625351

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38N2O2/c1-34(2,29-21-13-6-14-22-29)35-25-32(37)31(23-26-15-7-3-8-16-26)36-33(38)24-30(27-17-9-4-10-18-27)28-19-11-5-12-20-28/h3-22,30-32,35,37H,23-25H2,1-2H3,(H,36,38)/t31-,32+/m0/s1
InChIKeyLUGJCZXQWVGSMN-AJQTZOPKSA-N
MW506.69 g/mol
LogP5.82
Rot. Bonds12

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

N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide (PubChem CID 164625351) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide
PubChem CID164625351
Molecular FormulaC34H38N2O2
Molecular Weight506.69 g/mol
Exact Mass506.29
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38N2O2/c1-34(2,29-21-13-6-14-22-29)35-25-32(37)31(23-26-15-7-3-8-16-26)36-33(38)24-30(27-17-9-4-10-18-27)28-19-11-5-12-20-28/h3-22,30-32,35,37H,23-25H2,1-2H3,(H,36,38)/t31-,32+/m0/s1
InChIKeyLUGJCZXQWVGSMN-AJQTZOPKSA-N
XLogP5.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 55.82
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]-3,3-diphenylpropanamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide (CID 164625351) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide is CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide?
The InChIKey is LUGJCZXQWVGSMN-AJQTZOPKSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-34(2,29-21-13-6-14-22-29)35-25-32(37)31(23-26-15-7-3-8-16-26)36-33(38)24-30(27-17-9-4-10-18-27)28-19-11-5-12-20-28/h3-22,30-32,35,37H,23-25H2,1-2H3,(H,36,38)/t31-,32+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3,3-diphenylpropanamide has a molecular weight of 506.69 g/mol, XLogP of 5.82, 12 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]-3,3-diphenylpropanamide is sourced from PubChem (CID 164625351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).