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

C20H23NO5 — CID 119255722

IUPAC2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCOc1ccc(CCC(=O)NCCc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-25-17-7-2-15(3-8-17)6-11-19(22)21-13-12-16-4-9-18(10-5-16)26-14-20(23)24/h2-5,7-10H,6,11-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyMRNOZSOUSYSUCR-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.45
Rot. Bonds10

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

2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid (PubChem CID 119255722) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
PubChem CID119255722
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
SMILESCOc1ccc(CCC(=O)NCCc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-25-17-7-2-15(3-8-17)6-11-19(22)21-13-12-16-4-9-18(10-5-16)26-14-20(23)24/h2-5,7-10H,6,11-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyMRNOZSOUSYSUCR-UHFFFAOYSA-N
XLogP2.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
CID 79457335
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
2-[4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]phenoxy]acetic acid
CID 120528991
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
2-[4-[2-[3-(5-chlorothiophen-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255845
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid (CID 119255722) is 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid is COc1ccc(CCC(=O)NCCc2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid?
The InChIKey is MRNOZSOUSYSUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-25-17-7-2-15(3-8-17)6-11-19(22)21-13-12-16-4-9-18(10-5-16)26-14-20(23)24/h2-5,7-10H,6,11-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).