(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide

C23H31NO3 — CID 51356430

IUPAC(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/m0/s1
InChIKeyGXJPLTPOMVKXAT-RBENRJQXSA-N
MW369.51 g/mol
LogP4.45
Rot. Bonds10

About (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide

(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide (PubChem CID 51356430) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
PubChem CID51356430
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/m0/s1
InChIKeyGXJPLTPOMVKXAT-RBENRJQXSA-N
XLogP4.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide (CID 51356430) is (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide is CCCC(C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
The InChIKey is GXJPLTPOMVKXAT-RBENRJQXSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide?
(2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide has a molecular weight of 369.51 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-hydroxy-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 51356430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).