(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide

C25H27NO2 — CID 134917991

IUPAC(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-19(24(27)22-16-10-5-11-17-22)26(2)25(28)23(21-14-8-4-9-15-21)18-20-12-6-3-7-13-20/h3-17,19,23-24,27H,18H2,1-2H3/t19-,23-,24+/m0/s1
InChIKeyNYNHDYUNJBCFQJ-WDJPJFJCSA-N
MW373.50 g/mol
LogP4.59
Rot. Bonds7

About (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide

(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide (PubChem CID 134917991) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide
PubChem CID134917991
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-19(24(27)22-16-10-5-11-17-22)26(2)25(28)23(21-14-8-4-9-15-21)18-20-12-6-3-7-13-20/h3-17,19,23-24,27H,18H2,1-2H3/t19-,23-,24+/m0/s1
InChIKeyNYNHDYUNJBCFQJ-WDJPJFJCSA-N
XLogP4.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide?
The IUPAC name of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide (CID 134917991) is (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide.
What is the SMILES notation for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide?
The canonical SMILES for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide?
The InChIKey is NYNHDYUNJBCFQJ-WDJPJFJCSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19(24(27)22-16-10-5-11-17-22)26(2)25(28)23(21-14-8-4-9-15-21)18-20-12-6-3-7-13-20/h3-17,19,23-24,27H,18H2,1-2H3/t19-,23-,24+/m0/s1.
What are the key properties of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide?
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide has a molecular weight of 373.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2,3-diphenylpropanamide is sourced from PubChem (CID 134917991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).