2-(3-methoxyphenoxy)-N-prop-2-enylacetamide

C12H15NO3 — CID 19204009

IUPAC2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C12H15NO3/c1-3-7-13-12(14)9-16-11-6-4-5-10(8-11)15-2/h3-6,8H,1,7,9H2,2H3,(H,13,14)
InChIKeyLOMTZOAGYDTSNL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.38
Rot. Bonds6

About 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide

2-(3-methoxyphenoxy)-N-prop-2-enylacetamide (PubChem CID 19204009) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
PubChem CID19204009
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C12H15NO3/c1-3-7-13-12(14)9-16-11-6-4-5-10(8-11)15-2/h3-6,8H,1,7,9H2,2H3,(H,13,14)
InChIKeyLOMTZOAGYDTSNL-UHFFFAOYSA-N
XLogP1.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45304182
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide (CID 19204009) is 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide?
The InChIKey is LOMTZOAGYDTSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-7-13-12(14)9-16-11-6-4-5-10(8-11)15-2/h3-6,8H,1,7,9H2,2H3,(H,13,14).
What are the key properties of 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide?
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 19204009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).