(2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide

C23H31NO2 — CID 102518743

IUPAC(2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
SMILESCCCC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-4-5-14-21(17-19-12-8-6-9-13-19)23(26)24(3)18(2)22(25)20-15-10-7-11-16-20/h6-13,15-16,18,21-22,25H,4-5,14,17H2,1-3H3/t18-,21-,22+/m0/s1
InChIKeyFVXPFBHOHGRUOW-YUXAGFNASA-N
MW353.51 g/mol
LogP4.62
Rot. Bonds9

About (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide

(2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide (PubChem CID 102518743) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
PubChem CID102518743
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
SMILESCCCC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-4-5-14-21(17-19-12-8-6-9-13-19)23(26)24(3)18(2)22(25)20-15-10-7-11-16-20/h6-13,15-16,18,21-22,25H,4-5,14,17H2,1-3H3/t18-,21-,22+/m0/s1
InChIKeyFVXPFBHOHGRUOW-YUXAGFNASA-N
XLogP4.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
The IUPAC name of (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide (CID 102518743) is (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide.
What is the SMILES notation for (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
The canonical SMILES for (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide is CCCC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
The InChIKey is FVXPFBHOHGRUOW-YUXAGFNASA-N. The full InChI is InChI=1S/C23H31NO2/c1-4-5-14-21(17-19-12-8-6-9-13-19)23(26)24(3)18(2)22(25)20-15-10-7-11-16-20/h6-13,15-16,18,21-22,25H,4-5,14,17H2,1-3H3/t18-,21-,22+/m0/s1.
What are the key properties of (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
(2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide has a molecular weight of 353.51 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide is sourced from PubChem (CID 102518743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).