2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid

C19H27NO6 — CID 119255675

IUPAC2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(OCC1CCCCO1)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H27NO6/c1-14(25-12-17-4-2-3-11-24-17)19(23)20-10-9-15-5-7-16(8-6-15)26-13-18(21)22/h5-8,14,17H,2-4,9-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRNGUNQOWOHIKNU-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.78
Rot. Bonds10

About 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid

2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255675) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255675
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(OCC1CCCCO1)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H27NO6/c1-14(25-12-17-4-2-3-11-24-17)19(23)20-10-9-15-5-7-16(8-6-15)26-13-18(21)22/h5-8,14,17H,2-4,9-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRNGUNQOWOHIKNU-UHFFFAOYSA-N
XLogP1.78
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255944
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8561650
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
CID 125153162
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
CID 79084595

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid (CID 119255675) is 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid is CC(OCC1CCCCO1)C(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is RNGUNQOWOHIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO6/c1-14(25-12-17-4-2-3-11-24-17)19(23)20-10-9-15-5-7-16(8-6-15)26-13-18(21)22/h5-8,14,17H,2-4,9-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 365.43 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).