2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid

C14H13NO5 — CID 61058593

IUPAC2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
SMILESCc1ccoc1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H13NO5/c1-9-5-6-19-13(9)14(18)15-10-3-2-4-11(7-10)20-8-12(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPREGKQOCHWGEIV-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.30
Rot. Bonds5

About 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid

2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 61058593) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID61058593
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
SMILESCc1ccoc1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H13NO5/c1-9-5-6-19-13(9)14(18)15-10-3-2-4-11(7-10)20-8-12(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPREGKQOCHWGEIV-UHFFFAOYSA-N
XLogP2.30
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 115339330
N-(3-iodophenyl)-3-methylfuran-2-carboxamide
CID 27445102
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
CID 55148878
2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 66661015
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid (CID 61058593) is 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid is Cc1ccoc1C(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is PREGKQOCHWGEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-9-5-6-19-13(9)14(18)15-10-3-2-4-11(7-10)20-8-12(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 275.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 61058593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).