2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid

C14H17NO5 — CID 62033736

IUPAC2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C14H17NO5/c16-13(17)9-20-12-3-1-11(2-4-12)15-14(18)10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H,15,18)(H,16,17)
InChIKeyZYUXXBPJPDXYJL-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.52
Rot. Bonds5

About 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid

2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid (PubChem CID 62033736) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
PubChem CID62033736
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C14H17NO5/c16-13(17)9-20-12-3-1-11(2-4-12)15-14(18)10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H,15,18)(H,16,17)
InChIKeyZYUXXBPJPDXYJL-UHFFFAOYSA-N
XLogP1.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-[2-(propylamino)ethoxy]phenyl]oxane-4-carboxamide
CID 18368353
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
CID 122108484
2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
CID 66237709
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
CID 17097627
2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
CID 107175510
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
CID 43369242
N-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]cyclohexanecarboxamide
CID 155811692
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid (CID 62033736) is 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)C2CCOCC2)cc1.
What is the InChIKey of 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid?
The InChIKey is ZYUXXBPJPDXYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-13(17)9-20-12-3-1-11(2-4-12)15-14(18)10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H,15,18)(H,16,17).
What are the key properties of 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid?
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 62033736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).