2-[3-(2-methylprop-2-enoxy)phenyl]acetamide

C12H15NO2 — CID 170769259

IUPAC2-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(CC(N)=O)c1
InChIInChI=1S/C12H15NO2/c1-9(2)8-15-11-5-3-4-10(6-11)7-12(13)14/h3-6H,1,7-8H2,2H3,(H2,13,14)
InChIKeyDFHSOZBPDHRPRQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.67
Rot. Bonds5

About 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide

2-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 170769259) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID170769259
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(CC(N)=O)c1
InChIInChI=1S/C12H15NO2/c1-9(2)8-15-11-5-3-4-10(6-11)7-12(13)14/h3-6H,1,7-8H2,2H3,(H2,13,14)
InChIKeyDFHSOZBPDHRPRQ-UHFFFAOYSA-N
XLogP1.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
CID 69075658
CID 69075658
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
2-[3-[2-oxo-2-(3-phenoxyanilino)ethoxy]phenyl]acetamide
CID 48934810
4-[[[3-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 46998054
2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 60605202
tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
CID 57096912
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
4-(3-ethylphenoxy)butanamide
CID 82040637

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 170769259) is 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1cccc(CC(N)=O)c1.
What is the InChIKey of 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is DFHSOZBPDHRPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(2)8-15-11-5-3-4-10(6-11)7-12(13)14/h3-6H,1,7-8H2,2H3,(H2,13,14).
What are the key properties of 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 170769259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).