2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide

C14H19NO2 — CID 113239258

IUPAC2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H19NO2/c1-3-4-5-9-15(2)14(17)11-12-7-6-8-13(16)10-12/h3,6-8,10,16H,1,4-5,9,11H2,2H3
InChIKeyIMFLESNTFSPLAO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.36
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide

2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide (PubChem CID 113239258) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide
PubChem CID113239258
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H19NO2/c1-3-4-5-9-15(2)14(17)11-12-7-6-8-13(16)10-12/h3,6-8,10,16H,1,4-5,9,11H2,2H3
InChIKeyIMFLESNTFSPLAO-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 133108337
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
N-[(3-bromocyclobutyl)methyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 80673108
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
N-methyl-N-pent-4-enylpropanamide
CID 115640317
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
CID 107339694
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 54991694
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide (CID 113239258) is 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide is C=CCCCN(C)C(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide?
The InChIKey is IMFLESNTFSPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-5-9-15(2)14(17)11-12-7-6-8-13(16)10-12/h3,6-8,10,16H,1,4-5,9,11H2,2H3.
What are the key properties of 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide?
2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide has a molecular weight of 233.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide is sourced from PubChem (CID 113239258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).