3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide

C15H15NO3 — CID 46689866

IUPAC3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-9-16-15(17)14-12(8-10-18-14)11-19-13-6-4-3-5-7-13/h2-8,10H,1,9,11H2,(H,16,17)
InChIKeyOEALCEWDEFLHOB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.77
Rot. Bonds6

About 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide

3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide (PubChem CID 46689866) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
PubChem CID46689866
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-9-16-15(17)14-12(8-10-18-14)11-19-13-6-4-3-5-7-13/h2-8,10H,1,9,11H2,(H,16,17)
InChIKeyOEALCEWDEFLHOB-UHFFFAOYSA-N
XLogP2.77
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.77
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

N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide (CID 46689866) is 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide is C=CCNC(=O)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is OEALCEWDEFLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-9-16-15(17)14-12(8-10-18-14)11-19-13-6-4-3-5-7-13/h2-8,10H,1,9,11H2,(H,16,17).
What are the key properties of 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide?
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 46689866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).