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

C18H25NO6 — CID 119255918

IUPAC2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(OCC1CCCO1)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H25NO6/c1-13(24-11-16-3-2-10-23-16)18(22)19-9-8-14-4-6-15(7-5-14)25-12-17(20)21/h4-7,13,16H,2-3,8-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyDPMVUYVOXXZAMV-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.39
Rot. Bonds10

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

2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255918) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255918
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCC(OCC1CCCO1)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H25NO6/c1-13(24-11-16-3-2-10-23-16)18(22)19-9-8-14-4-6-15(7-5-14)25-12-17(20)21/h4-7,13,16H,2-3,8-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyDPMVUYVOXXZAMV-UHFFFAOYSA-N
XLogP1.39
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8561650
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255944
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid (CID 119255918) is 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid is CC(OCC1CCCO1)C(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is DPMVUYVOXXZAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-13(24-11-16-3-2-10-23-16)18(22)19-9-8-14-4-6-15(7-5-14)25-12-17(20)21/h4-7,13,16H,2-3,8-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 351.40 g/mol, XLogP of 1.39, 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-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).