(E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide

C11H13NO2 — CID 18932016

IUPAC(E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-2-12-11(14)8-5-9-3-6-10(13)7-4-9/h3-8,13H,2H2,1H3,(H,12,14)/b8-5+
InChIKeyXOOAHGQKVZNTHU-VMPITWQZSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds3

About (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 18932016) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID18932016
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-2-12-11(14)8-5-9-3-6-10(13)7-4-9/h3-8,13H,2H2,1H3,(H,12,14)/b8-5+
InChIKeyXOOAHGQKVZNTHU-VMPITWQZSA-N
XLogP1.54
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 ≤ 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

Paprazine
CID 5372945
N-Acetyltyramine
CID 121051
N-trans-Cinnamoyltyramine
CID 5315911
Tricoumaroyl spermidine
CID 14777879
Bis-coumaramidobutane
CID 44241258
cis-p-Coumaroylagmatine
CID 5280691
N-Caffeoylputrescine
CID 5280559
2-Propenamide, 3-(4-hydroxyphenyl)-, (2E)-
CID 16637983
3-(4-Hydroxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)prop-2-enimidic acid
CID 89322
(Z)-N-[2-(4-hydroxyphenyl)ethyl]-3-methyldodec-2-enamide
CID 21773786
3-(4-Hydroxyphenyl)-N-phenethylprop-2-enamide, (E)-
CID 23652834
cis-N-p-coumaroyltyramine
CID 13939145

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide (CID 18932016) is (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide is CCNC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is XOOAHGQKVZNTHU-VMPITWQZSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-11(14)8-5-9-3-6-10(13)7-4-9/h3-8,13H,2H2,1H3,(H,12,14)/b8-5+.
What are the key properties of (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 18932016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).