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

C19H23NO2 — CID 11077352

IUPACN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)CCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(19(22)17-11-7-4-8-12-17)20(2)18(21)14-13-16-9-5-3-6-10-16/h3-12,15,19,22H,13-14H2,1-2H3/t15-,19+/m0/s1
InChIKeyNJAUTWPSWIXOPR-HNAYVOBHSA-N
MW297.40 g/mol
LogP3.20
Rot. Bonds6

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

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (PubChem CID 11077352) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
PubChem CID11077352
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)CCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(19(22)17-11-7-4-8-12-17)20(2)18(21)14-13-16-9-5-3-6-10-16/h3-12,15,19,22H,13-14H2,1-2H3/t15-,19+/m0/s1
InChIKeyNJAUTWPSWIXOPR-HNAYVOBHSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (CID 11077352) is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is NJAUTWPSWIXOPR-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(19(22)17-11-7-4-8-12-17)20(2)18(21)14-13-16-9-5-3-6-10-16/h3-12,15,19,22H,13-14H2,1-2H3/t15-,19+/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 11077352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).