2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid

C18H25NO5 — CID 119255944

IUPAC2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C18H25NO5/c20-17(9-8-15-3-1-2-12-23-15)19-11-10-14-4-6-16(7-5-14)24-13-18(21)22/h4-7,15H,1-3,8-13H2,(H,19,20)(H,21,22)
InChIKeyWFEFOUWUZOUYQZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.16
Rot. Bonds9

About 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid

2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255944) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255944
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C18H25NO5/c20-17(9-8-15-3-1-2-12-23-15)19-11-10-14-4-6-16(7-5-14)24-13-18(21)22/h4-7,15H,1-3,8-13H2,(H,19,20)(H,21,22)
InChIKeyWFEFOUWUZOUYQZ-UHFFFAOYSA-N
XLogP2.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
2-(4-acetylphenoxy)-N-[2-(oxan-2-yl)ethyl]acetamide
CID 77089115
2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255584
2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid (CID 119255944) is 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CCNC(=O)CCC2CCCCO2)cc1.
What is the InChIKey of 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is WFEFOUWUZOUYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c20-17(9-8-15-3-1-2-12-23-15)19-11-10-14-4-6-16(7-5-14)24-13-18(21)22/h4-7,15H,1-3,8-13H2,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).