2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide

C14H16N2O4 — CID 64579004

IUPAC2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2ccc(CO)o2)c1
InChIInChI=1S/C14H16N2O4/c15-14(18)9-19-11-3-1-2-10(6-11)16-7-12-4-5-13(8-17)20-12/h1-6,16-17H,7-9H2,(H2,15,18)
InChIKeyNSMLKJILNYIQDC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.25
Rot. Bonds7

About 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide

2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide (PubChem CID 64579004) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
PubChem CID64579004
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2ccc(CO)o2)c1
InChIInChI=1S/C14H16N2O4/c15-14(18)9-19-11-3-1-2-10(6-11)16-7-12-4-5-13(8-17)20-12/h1-6,16-17H,7-9H2,(H2,15,18)
InChIKeyNSMLKJILNYIQDC-UHFFFAOYSA-N
XLogP1.25
TPSA97.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 115652577
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
CID 61317866
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide (CID 64579004) is 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide is NC(=O)COc1cccc(NCc2ccc(CO)o2)c1.
What is the InChIKey of 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide?
The InChIKey is NSMLKJILNYIQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-14(18)9-19-11-3-1-2-10(6-11)16-7-12-4-5-13(8-17)20-12/h1-6,16-17H,7-9H2,(H2,15,18).
What are the key properties of 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide?
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide has a molecular weight of 276.29 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide is sourced from PubChem (CID 64579004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).