(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide

C13H17NO2 — CID 91710848

IUPAC(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-3-10(2)13(16)14-9-8-11-4-6-12(15)7-5-11/h3-7,15H,8-9H2,1-2H3,(H,14,16)/b10-3+
InChIKeyKBPGZGWIOKMRCS-XCVCLJGOSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds4

About (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide

(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide (PubChem CID 91710848) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
PubChem CID91710848
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H17NO2/c1-3-10(2)13(16)14-9-8-11-4-6-12(15)7-5-11/h3-7,15H,8-9H2,1-2H3,(H,14,16)/b10-3+
InChIKeyKBPGZGWIOKMRCS-XCVCLJGOSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.02
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

N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503020
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503230
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
N'-tert-butyl-N'-ethyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503174

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide (CID 91710848) is (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
The InChIKey is KBPGZGWIOKMRCS-XCVCLJGOSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10(2)13(16)14-9-8-11-4-6-12(15)7-5-11/h3-7,15H,8-9H2,1-2H3,(H,14,16)/b10-3+.
What are the key properties of (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide is sourced from PubChem (CID 91710848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).