N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide

C13H17NO2 — CID 70564119

IUPACN-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1c(C)ccc(O)c1C
InChIInChI=1S/C13H17NO2/c1-5-8-14(11(4)15)13-9(2)6-7-12(16)10(13)3/h5-7,16H,1,8H2,2-4H3
InChIKeyHNOHOMKBZGOVPG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.55
Rot. Bonds3

About N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide

N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide (PubChem CID 70564119) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide
PubChem CID70564119
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)c1c(C)ccc(O)c1C
InChIInChI=1S/C13H17NO2/c1-5-8-14(11(4)15)13-9(2)6-7-12(16)10(13)3/h5-7,16H,1,8H2,2-4H3
InChIKeyHNOHOMKBZGOVPG-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide?
The IUPAC name of N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide (CID 70564119) is N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide is C=CCN(C(C)=O)c1c(C)ccc(O)c1C.
What is the InChIKey of N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide?
The InChIKey is HNOHOMKBZGOVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-8-14(11(4)15)13-9(2)6-7-12(16)10(13)3/h5-7,16H,1,8H2,2-4H3.
What are the key properties of N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide?
N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide has a molecular weight of 219.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 70564119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).