N-(3-methoxy-2-prop-2-enylphenyl)acetamide

C12H15NO2 — CID 825831

IUPACN-(3-methoxy-2-prop-2-enylphenyl)acetamide
SMILESC=CCc1c(NC(C)=O)cccc1OC
InChIInChI=1S/C12H15NO2/c1-4-6-10-11(13-9(2)14)7-5-8-12(10)15-3/h4-5,7-8H,1,6H2,2-3H3,(H,13,14)
InChIKeySTVGRQZNNMNQGP-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds4

About N-(3-methoxy-2-prop-2-enylphenyl)acetamide

N-(3-methoxy-2-prop-2-enylphenyl)acetamide (PubChem CID 825831) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-methoxy-2-prop-2-enylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methoxy-2-prop-2-enylphenyl)acetamide
PubChem CID825831
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(3-methoxy-2-prop-2-enylphenyl)acetamide
SMILESC=CCc1c(NC(C)=O)cccc1OC
InChIInChI=1S/C12H15NO2/c1-4-6-10-11(13-9(2)14)7-5-8-12(10)15-3/h4-5,7-8H,1,6H2,2-3H3,(H,13,14)
InChIKeySTVGRQZNNMNQGP-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-prop-2-enylphenyl)acetamide?
The IUPAC name of N-(3-methoxy-2-prop-2-enylphenyl)acetamide (CID 825831) is N-(3-methoxy-2-prop-2-enylphenyl)acetamide.
What is the SMILES notation for N-(3-methoxy-2-prop-2-enylphenyl)acetamide?
The canonical SMILES for N-(3-methoxy-2-prop-2-enylphenyl)acetamide is C=CCc1c(NC(C)=O)cccc1OC.
What is the InChIKey of N-(3-methoxy-2-prop-2-enylphenyl)acetamide?
The InChIKey is STVGRQZNNMNQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-6-10-11(13-9(2)14)7-5-8-12(10)15-3/h4-5,7-8H,1,6H2,2-3H3,(H,13,14).
What are the key properties of N-(3-methoxy-2-prop-2-enylphenyl)acetamide?
N-(3-methoxy-2-prop-2-enylphenyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-prop-2-enylphenyl)acetamide is sourced from PubChem (CID 825831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).