N-(2-hydroxy-4-methylphenyl)pent-4-enamide

C12H15NO2 — CID 62677203

IUPACN-(2-hydroxy-4-methylphenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H15NO2/c1-3-4-5-12(15)13-10-7-6-9(2)8-11(10)14/h3,6-8,14H,1,4-5H2,2H3,(H,13,15)
InChIKeyOPFCLYXJZFTEAG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.61
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)pent-4-enamide

N-(2-hydroxy-4-methylphenyl)pent-4-enamide (PubChem CID 62677203) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)pent-4-enamide
PubChem CID62677203
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(2-hydroxy-4-methylphenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H15NO2/c1-3-4-5-12(15)13-10-7-6-9(2)8-11(10)14/h3,6-8,14H,1,4-5H2,2H3,(H,13,15)
InChIKeyOPFCLYXJZFTEAG-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
N-(2-hydroxy-4-methylphenyl)hept-6-ynamide
CID 103907404
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
5-hydroxy-2-(pent-4-enoylamino)benzoic acid
CID 55102905
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516853
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 7979690
N-(2,4-dichlorophenyl)pent-4-enamide
CID 121218276
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)pent-4-enamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)pent-4-enamide (CID 62677203) is N-(2-hydroxy-4-methylphenyl)pent-4-enamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)pent-4-enamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)pent-4-enamide is C=CCCC(=O)Nc1ccc(C)cc1O.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)pent-4-enamide?
The InChIKey is OPFCLYXJZFTEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-4-5-12(15)13-10-7-6-9(2)8-11(10)14/h3,6-8,14H,1,4-5H2,2H3,(H,13,15).
What are the key properties of N-(2-hydroxy-4-methylphenyl)pent-4-enamide?
N-(2-hydroxy-4-methylphenyl)pent-4-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)pent-4-enamide is sourced from PubChem (CID 62677203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).