(E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide

C11H13NO2 — CID 138982112

IUPAC(E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide
SMILESCNC(=O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12-11(14)10(13)8-7-9-5-3-2-4-6-9/h2-8,10,13H,1H3,(H,12,14)/b8-7+/t10-/m0/s1
InChIKeyUMNBHONRTYSBTC-JARNTUPDSA-N
MW191.23 g/mol
LogP0.81
Rot. Bonds3

About (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide

(E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide (PubChem CID 138982112) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide
PubChem CID138982112
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide
SMILESCNC(=O)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C11H13NO2/c1-12-11(14)10(13)8-7-9-5-3-2-4-6-9/h2-8,10,13H,1H3,(H,12,14)/b8-7+/t10-/m0/s1
InChIKeyUMNBHONRTYSBTC-JARNTUPDSA-N
XLogP0.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnamamide, N-(2-hydroxypropyl)-
CID 6434084
N-benzyl-2-hydroxypropanamide
CID 223817
2-Hydroxy-n-(2-phenylethyl)propanamide
CID 223430
Acetamide, 2-hydroxy-N-(2-phenylethyl)-
CID 6480486
(2R)-N-benzyl-2-hydroxybutanamide
CID 54757479
Cinnamamide, N-(2-hydroxyethyl)-alpha-methyl-
CID 6434095
3-Butenamide, N-(2-hydroxyethyl)-3-methyl-4-phenyl-
CID 6446031
tert-butyl N-[(E)-2-hydroxy-4-phenylbut-3-enyl]carbamate
CID 9838134
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide
CID 10539494
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
(E,2S)-N-tert-butyl-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 138982397

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide?
The IUPAC name of (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide (CID 138982112) is (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide?
The canonical SMILES for (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide is CNC(=O)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide?
The InChIKey is UMNBHONRTYSBTC-JARNTUPDSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-11(14)10(13)8-7-9-5-3-2-4-6-9/h2-8,10,13H,1H3,(H,12,14)/b8-7+/t10-/m0/s1.
What are the key properties of (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide?
(E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide has a molecular weight of 191.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-hydroxy-N-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 138982112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).