N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide

C13H15NO2 — CID 77045482

IUPACN-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H15NO2/c1-3-4-5-6-13(16)14-12-8-7-11(15)9-10(12)2/h3-9,15H,1-2H3,(H,14,16)
InChIKeyMAKJDJGOQLTDPY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.77
Rot. Bonds3

About N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide

N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide (PubChem CID 77045482) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide
PubChem CID77045482
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H15NO2/c1-3-4-5-6-13(16)14-12-8-7-11(15)9-10(12)2/h3-9,15H,1-2H3,(H,14,16)
InChIKeyMAKJDJGOQLTDPY-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(5-chloro-2-methylphenyl)hexa-2,4-dienamide
CID 9403286
(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 17341892
N-(2-chloro-4-hydroxyphenyl)but-2-enamide
CID 77042642
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
3-bromo-4-(hexa-2,4-dienoylamino)benzoic acid
CID 77034280
(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801
(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide
CID 9397804
N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
CID 103753396
4-[[(4E)-hexa-2,4-dienoyl]amino]-2-methylbenzoic acid
CID 154810509
N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 35345299
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide (CID 77045482) is N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1ccc(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide?
The InChIKey is MAKJDJGOQLTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-4-5-6-13(16)14-12-8-7-11(15)9-10(12)2/h3-9,15H,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide?
N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide has a molecular weight of 217.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 77045482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).