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'}

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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).