(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide

C14H19NO2 — CID 11264794

IUPAC(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-8-13(16)15(3)11(2)14(17)12-9-6-5-7-10-12/h4-11,14,17H,1-3H3/b8-4+/t11-,14+/m0/s1
InChIKeyCCCWVBDIDOTWGV-RSHKERQCSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds4

About (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide

(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide (PubChem CID 11264794) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide
PubChem CID11264794
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-8-13(16)15(3)11(2)14(17)12-9-6-5-7-10-12/h4-11,14,17H,1-3H3/b8-4+/t11-,14+/m0/s1
InChIKeyCCCWVBDIDOTWGV-RSHKERQCSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide?
The IUPAC name of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide (CID 11264794) is (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide is C/C=C/C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide?
The InChIKey is CCCWVBDIDOTWGV-RSHKERQCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-8-13(16)15(3)11(2)14(17)12-9-6-5-7-10-12/h4-11,14,17H,1-3H3/b8-4+/t11-,14+/m0/s1.
What are the key properties of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide?
(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbut-2-enamide is sourced from PubChem (CID 11264794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).