(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide

C11H13NO2 — CID 118606325

IUPAC(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide
SMILESCNC(=O)/C(C)=C/c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-8(11(14)12-2)7-9-3-5-10(13)6-4-9/h3-7,13H,1-2H3,(H,12,14)/b8-7+
InChIKeyQJGOOOXNQKUQQX-BQYQJAHWSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds2

About (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide

(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide (PubChem CID 118606325) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide
PubChem CID118606325
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide
SMILESCNC(=O)/C(C)=C/c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-8(11(14)12-2)7-9-3-5-10(13)6-4-9/h3-7,13H,1-2H3,(H,12,14)/b8-7+
InChIKeyQJGOOOXNQKUQQX-BQYQJAHWSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxyphenyl)methylidene]-N-methyl-3-oxobutanamide
CID 54059819
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
[3-(4-hydroxyphenyl)-2-methylprop-2-enoyl]oxyboronic acid
CID 175548515
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
(E)-4-(4-hydroxyphenyl)-3-methyl-1-(4-methylphenyl)but-3-en-2-one
CID 159020856
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
acetic acid;4-hydroxybenzaldehyde
CID 86610069
2-[(4-hydroxyphenyl)methylidene]propanedioic acid
CID 519420
[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enyl] acetate
CID 14320460
(E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-2-methyl-3-phenylprop-2-enamide
CID 162745291

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide (CID 118606325) is (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide is CNC(=O)/C(C)=C/c1ccc(O)cc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide?
The InChIKey is QJGOOOXNQKUQQX-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(11(14)12-2)7-9-3-5-10(13)6-4-9/h3-7,13H,1-2H3,(H,12,14)/b8-7+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 118606325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).