2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide

C15H15N3O3 — CID 115652577

IUPAC2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NCc2ccc(C#N)o2)c1
InChIInChI=1S/C15H15N3O3/c1-17-15(19)10-20-12-4-2-3-11(7-12)18-9-14-6-5-13(8-16)21-14/h2-7,18H,9-10H2,1H3,(H,17,19)
InChIKeyFITCDUMTXJHSRZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.89
Rot. Bonds6

About 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide

2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide (PubChem CID 115652577) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
PubChem CID115652577
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NCc2ccc(C#N)o2)c1
InChIInChI=1S/C15H15N3O3/c1-17-15(19)10-20-12-4-2-3-11(7-12)18-9-14-6-5-13(8-16)21-14/h2-7,18H,9-10H2,1H3,(H,17,19)
InChIKeyFITCDUMTXJHSRZ-UHFFFAOYSA-N
XLogP1.89
TPSA87.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 102832530
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
5-[[3-(cyanomethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317142
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
CID 43721153

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide (CID 115652577) is 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(NCc2ccc(C#N)o2)c1.
What is the InChIKey of 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide?
The InChIKey is FITCDUMTXJHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-15(19)10-20-12-4-2-3-11(7-12)18-9-14-6-5-13(8-16)21-14/h2-7,18H,9-10H2,1H3,(H,17,19).
What are the key properties of 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide?
2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide has a molecular weight of 285.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide is sourced from PubChem (CID 115652577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).