(E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide

C19H21NO2 — CID 10424604

IUPAC(E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H21NO2/c1-15(19(22)17-11-7-4-8-12-17)20(2)18(21)14-13-16-9-5-3-6-10-16/h3-15,19,22H,1-2H3/b14-13+/t15-,19-/m0/s1
InChIKeyHFCKTKLUJNVURS-XYEGEHMUSA-N
MW295.38 g/mol
LogP3.28
Rot. Bonds5

About (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide

(E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide (PubChem CID 10424604) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide
PubChem CID10424604
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H21NO2/c1-15(19(22)17-11-7-4-8-12-17)20(2)18(21)14-13-16-9-5-3-6-10-16/h3-15,19,22H,1-2H3/b14-13+/t15-,19-/m0/s1
InChIKeyHFCKTKLUJNVURS-XYEGEHMUSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
Cinnamedrine
CID 5370611
Etafedrine Hydrochloride
CID 76964725
Secoclausenamide
CID 10424832
2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 1512505
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
DL-Methylephedrine saccharinate
CID 9851505
2-Ethylmethylamino-1-phenylpropan-1-ol
CID 10734
2-Propenamide, N-(1-(hydroxymethyl)-2-phenylethyl)-3-phenyl-, (E)-(+-)-
CID 6040514

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide (CID 10424604) is (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide is C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide?
The InChIKey is HFCKTKLUJNVURS-XYEGEHMUSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15(19(22)17-11-7-4-8-12-17)20(2)18(21)14-13-16-9-5-3-6-10-16/h3-15,19,22H,1-2H3/b14-13+/t15-,19-/m0/s1.
What are the key properties of (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide?
(E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 10424604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).